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LAMMPS (18 Feb 2013)
Processor partition = 1
# temperature accelerated dynamics model for a single vacancy in bulk Si
# events occur when a neighboring atom diffuses to the vacant site
# run this on multiple partitions as
# mpirun -np 3 lmp_g++ -partition 3x1 -in in.tad
units metal
atom_style atomic
atom_modify map array
boundary p p p
atom_modify sort 0 0.0
# temperatures
variable tlo equal 1800.0
variable thi equal 2400.0
# coordination number cutoff
variable r equal 2.835
# minimization parameters
variable etol equal 1.0e-5
variable ftol equal 1.0e-5
variable maxiter equal 100
variable maxeval equal 100
variable dmax equal 1.0e-1
# diamond unit cell
variable a equal 5.431
lattice custom $a a1 1.0 0.0 0.0 a2 0.0 1.0 0.0 a3 0.0 0.0 1.0 basis 0.0 0.0 0.0 basis 0.0 0.5 0.5 basis 0.5 0.0 0.5 basis 0.5 0.5 0.0 basis 0.25 0.25 0.25 basis 0.25 0.75 0.75 basis 0.75 0.25 0.75 basis 0.75 0.75 0.25
lattice custom 5.4310000000000000497 a1 1.0 0.0 0.0 a2 0.0 1.0 0.0 a3 0.0 0.0 1.0 basis 0.0 0.0 0.0 basis 0.0 0.5 0.5 basis 0.5 0.0 0.5 basis 0.5 0.5 0.0 basis 0.25 0.25 0.25 basis 0.25 0.75 0.75 basis 0.75 0.25 0.75 basis 0.75 0.75 0.25
Lattice spacing in x,y,z = 5.431 5.431 5.431
region myreg block 0 4 0 4 0 4
create_box 1 myreg
Created orthogonal box = (0 0 0) to (21.724 21.724 21.724)
1 by 1 by 1 MPI processor grid
create_atoms 1 region myreg
Created 512 atoms
mass 1 28.06
group Si type 1
512 atoms in group Si
velocity all create ${thi} 5287286 mom yes rot yes dist gaussian
velocity all create 2400 5287286 mom yes rot yes dist gaussian
# make a vacancy
group del id 300
1 atoms in group del
delete_atoms group del
Deleted 1 atoms, new total = 511
pair_style sw
pair_coeff * * Si.sw Si
thermo 10
fix 1 all nve
fix 2 all langevin ${thi} ${thi} 0.1 48278
fix 2 all langevin 2400 ${thi} 0.1 48278
fix 2 all langevin 2400 2400 0.1 48278
timestep 1.0e-3
neighbor 1.0 bin
neigh_modify every 1 delay 10 check yes
# equilibrate
run 1000
Memory usage per processor = 2.0318 Mbytes
Step Temp E_pair E_mol TotEng Press
0 2397.3877 -2211.666 0 -2053.6238 16437.395
10 1408.3954 -2139.6418 0 -2046.7966 19704.911
20 1093.6239 -2098.8191 0 -2026.7244 19039.499
30 1697.5623 -2125.7046 0 -2013.7967 14407.763
40 1432.3638 -2098.9446 0 -2004.5194 13762.586
50 1355.5121 -2075.899 0 -1986.54 15232.765
60 1740.8873 -2091.9136 0 -1977.1496 12856.126
70 1729.3154 -2080.3289 0 -1966.3278 13304.077
80 1544.9927 -2060.2808 0 -1958.4307 14545.574
90 1856.846 -2074.3867 0 -1951.9784 14679.213
100 1926.6837 -2075.6481 0 -1948.6359 15581.373
110 1952.0127 -2066.2941 0 -1937.6122 17867.407
120 2127.5273 -2070.5556 0 -1930.3033 18800.477
130 2263.2625 -2070.7786 0 -1921.5783 17480.258
140 2108.2074 -2055.1663 0 -1916.1876 18061.09
150 2108.0709 -2056.9914 0 -1918.0217 16185.697
160 2250.38 -2061.9776 0 -1913.6265 14775.208
170 2094.3406 -2051.5912 0 -1913.5267 15618.246
180 2133.2342 -2054.0585 0 -1913.43 14703.698
190 2167.8664 -2054.4793 0 -1911.5678 14412.634
200 2081.1592 -2044.2284 0 -1907.0328 16067.013
210 2193.7422 -2046.2424 0 -1901.6251 17491.305
220 2402.1726 -2058.7802 0 -1900.4225 16445.048
230 2236.7528 -2050.463 0 -1903.0103 15555.164
240 2073.9668 -2040.1169 0 -1903.3955 14943.188
250 2257.4854 -2050.8203 0 -1902.0008 15445.431
260 2315.568 -2051.1362 0 -1898.4877 16359.564
270 2262.0937 -2049.0576 0 -1899.9343 15948.584
280 2309.251 -2049.7917 0 -1897.5597 14754.994
290 2222.9618 -2047.2347 0 -1900.6911 14707.58
300 2150.8078 -2041.3575 0 -1899.5705 16172.518
310 2228.9047 -2040.8171 0 -1893.8817 17426.066
320 2376.2682 -2048.5423 0 -1891.8923 15802.606
330 2320.7227 -2042.4295 0 -1889.4413 16474.996
340 2310.4682 -2042.508 0 -1890.1957 16597.877
350 2466.8374 -2045.3922 0 -1882.7716 17771.513
360 2382.7707 -2044.9519 0 -1887.8733 16757.953
370 2318.9975 -2047.2097 0 -1894.3352 15267.698
380 2227.9435 -2038.9468 0 -1892.0748 15167.633
390 2241.238 -2035.6191 0 -1887.8707 16413.388
400 2298.3869 -2035.5143 0 -1883.9985 17573.361
410 2439.1094 -2041.2185 0 -1880.4259 17417.366
420 2438.0816 -2040.4181 0 -1879.6933 17000.799
430 2419.621 -2039.4524 0 -1879.9446 17277.841
440 2400.3962 -2036.392 0 -1878.1515 17353.749
450 2400.084 -2034.8541 0 -1876.6341 17301.395
460 2443.232 -2038.2591 0 -1877.1947 15880.125
470 2399.563 -2032.3026 0 -1874.117 14524.504
480 2379.1642 -2028.2813 0 -1871.4404 15080.571
490 2257.134 -2030.7105 0 -1881.9142 13267.538
500 2303.4365 -2033.254 0 -1881.4053 13303.626
510 2224.8834 -2029.9027 0 -1883.2324 15142.358
520 2259.6418 -2032.3898 0 -1883.4281 14426.825
530 2244.3528 -2036.563 0 -1888.6093 13611.835
540 2289.2186 -2033.577 0 -1882.6656 14593.524
550 2314.1805 -2030.4002 0 -1877.8432 16550.978
560 2434.1597 -2038.2171 0 -1877.7507 15320.174
570 2356.8023 -2033.9511 0 -1878.5843 15767.645
580 2448.0436 -2037.9988 0 -1876.6172 15958.914
590 2483.692 -2034.8435 0 -1871.1118 16533.816
600 2428.7684 -2032.2828 0 -1872.1719 17139.354
610 2369.1226 -2030.2599 0 -1874.081 15171.807
620 2351.8958 -2032.3817 0 -1877.3384 12759.907
630 2419.4363 -2037.1648 0 -1877.6691 12759.528
640 2306.8968 -2027.1601 0 -1875.0833 13699.543
650 2240.4669 -2023.1048 0 -1875.4073 14586.771
660 2303.5839 -2027.6735 0 -1875.8151 15077.465
670 2379.955 -2030.0505 0 -1873.1575 15633.06
680 2354.1404 -2030.6415 0 -1875.4502 16414.371
690 2427.7365 -2032.9922 0 -1872.9493 17097.223
700 2475.846 -2034.693 0 -1871.4786 18851.309
710 2456.3338 -2031.7442 0 -1869.8161 19487.645
720 2447.4768 -2037.4819 0 -1876.1377 17474.031
730 2435.1585 -2037.6942 0 -1877.162 16882.364
740 2391.3302 -2037.1798 0 -1879.5369 16071.534
750 2326.452 -2029.9922 0 -1876.6263 16117.229
760 2257.6714 -2022.4776 0 -1873.6458 17738.278
770 2371.2269 -2027.8008 0 -1871.4832 18100.791
780 2407.1838 -2030.3917 0 -1871.7037 17026.917
790 2367.9404 -2026.9448 0 -1870.8438 16038.578
800 2374.6123 -2033.0121 0 -1876.4713 14038.371
810 2424.6786 -2036.3506 0 -1876.5093 14206.078
820 2168.9017 -2026.7054 0 -1883.7256 16263.054
830 2323.0047 -2033.1056 0 -1879.967 17703.971
840 2498.7372 -2040.984 0 -1876.2606 17876.907
850 2460.7818 -2036.0467 0 -1873.8254 18545.104
860 2492.3205 -2034.6257 0 -1870.3253 19534.056
870 2575.2601 -2040.6532 0 -1870.8852 18719.18
880 2401.7961 -2030.4479 0 -1872.1151 17576.352
890 2386.7565 -2029.1495 0 -1871.8081 16681.21
900 2331.1129 -2028.8907 0 -1875.2175 14827.322
910 2414.7425 -2029.6198 0 -1870.4335 15192.331
920 2454.6751 -2027.6775 0 -1865.8587 15974.309
930 2428.2206 -2031.2363 0 -1871.1615 16206.415
940 2338.8519 -2027.1405 0 -1872.9572 15790.925
950 2342.8708 -2025.5463 0 -1871.0979 14662.456
960 2446.3658 -2027.9008 0 -1866.6298 16178.407
970 2479.8875 -2029.3424 0 -1865.8616 15827.32
980 2477.0203 -2028.29 0 -1864.9982 14789.439
990 2409.3478 -2024.9793 0 -1866.1486 14519.793
1000 2403.9699 -2022.9475 0 -1864.4714 15470.426
Loop time of 2.32045 on 1 procs for 1000 steps with 511 atoms
Pair time (%) = 2.23561 (96.3438)
Neigh time (%) = 0.0379391 (1.63499)
Comm time (%) = 0.00937676 (0.404093)
Outpt time (%) = 0.00080061 (0.0345024)
Other time (%) = 0.0367236 (1.58261)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1021 ave 1021 max 1021 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 13046 ave 13046 max 13046 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 13046
Ave neighs/atom = 25.5303
Neighbor list builds = 56
Dangerous builds = 0
# Eliminate COM motion
velocity all zero linear
# only output atoms near vacancy
compute coord all coord/atom $r
compute coord all coord/atom 2.8349999999999999645
#dump events all custom 1 dump.prd id type x y z
#dump_modify events thresh c_coord != 4
compute patom all pe/atom
compute pe all reduce sum c_patom
compute satom all stress/atom
compute str all reduce sum c_satom[1] c_satom[2] c_satom[3]
variable press equal (c_str[1]+c_str[2]+c_str[3])/(3*vol)
thermo_style custom step temp pe c_pe press v_press
compute event all event/displace 1.0
unfix 1
unfix 2
fix 1 all nvt temp ${thi} ${thi} 0.1
fix 1 all nvt temp 2400 ${thi} 0.1
fix 1 all nvt temp 2400 2400 0.1
# tad nsteps nevent tlo thi delta_conf tmax compute
# [min etol ftol niter neval]
# [neb etol_neb ftol_neb n1steps n2steps nevery]
# [min_style min_style]
# [neb_style min_style]
# [neb_log logfile]
tad 2000 50 ${tlo} ${thi} 0.05 1.0 event min ${etol} ${ftol} ${maxiter} ${maxeval} neb 0.0 0.01 200 200 20 min_style cg neb_style fire neb_log log.neb
tad 2000 50 1800 ${thi} 0.05 1.0 event min ${etol} ${ftol} ${maxiter} ${maxeval} neb 0.0 0.01 200 200 20 min_style cg neb_style fire neb_log log.neb
tad 2000 50 1800 2400 0.05 1.0 event min ${etol} ${ftol} ${maxiter} ${maxeval} neb 0.0 0.01 200 200 20 min_style cg neb_style fire neb_log log.neb
tad 2000 50 1800 2400 0.05 1.0 event min 1.0000000000000000818e-05 ${ftol} ${maxiter} ${maxeval} neb 0.0 0.01 200 200 20 min_style cg neb_style fire neb_log log.neb
tad 2000 50 1800 2400 0.05 1.0 event min 1.0000000000000000818e-05 1.0000000000000000818e-05 ${maxiter} ${maxeval} neb 0.0 0.01 200 200 20 min_style cg neb_style fire neb_log log.neb
tad 2000 50 1800 2400 0.05 1.0 event min 1.0000000000000000818e-05 1.0000000000000000818e-05 100 ${maxeval} neb 0.0 0.01 200 200 20 min_style cg neb_style fire neb_log log.neb
tad 2000 50 1800 2400 0.05 1.0 event min 1.0000000000000000818e-05 1.0000000000000000818e-05 100 100 neb 0.0 0.01 200 200 20 min_style cg neb_style fire neb_log log.neb
Memory usage per processor = 4.43506 Mbytes
Step Temp PotEng pe Press press
1000 2402.628 -2022.9475 -2022.9475 15461.21 -15461.21
1010 2402.628 -2209.0552 -2209.0552 13124.77 -13124.77
1020 2402.628 -2213.2419 -2213.2419 13109.348 -13109.348
1022 2402.628 -2213.2803 -2213.2803 13111.643 -13111.643
Loop time of 0.05654 on 1 procs for 22 steps with 511 atoms
Minimization stats:
Stopping criterion = energy tolerance
Energy initial, next-to-last, final =
-2022.94753371 -2213.26863148 -2213.28029768
Force two-norm initial, final = 70.3784 0.377272
Force max component initial, final = 5.75308 0.037084
Final line search alpha, max atom move = 0.0625 0.00231775
Iterations, force evaluations = 22 50
Pair time (%) = 2.28957 (4049.46)
Neigh time (%) = 0.0392489 (69.418)
Comm time (%) = 0.00982738 (17.3813)
Outpt time (%) = 0.000933647 (1.6513)
Other time (%) = -2.28304 (-4037.91)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 2
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1000 2402.628 -2022.9475 -2022.9475 15461.21 -15461.21
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1150 0 -2208.1718 -2208.1718 -3227.0211 3227.0211
1160 1.1733253e-07 -2208.1719 -2208.1719 -3227.0379 3227.0379
1170 1.2862776e-06 -2208.1726 -2208.1726 -3227.2138 3227.2138
1180 6.2760279e-06 -2208.1756 -2208.1756 -3227.9792 3227.9792
1190 3.3601038e-05 -2208.1922 -2208.1922 -3232.1574 3232.1574
1200 0.00013019566 -2208.2515 -2208.2515 -3247.1018 3247.1018
1210 0.00057570453 -2208.5222 -2208.5222 -3316.5011 3316.5011
1220 0.0016320654 -2209.1721 -2209.1721 -3492.6305 3492.6305
1230 0.0027148483 -2210.2729 -2210.2729 -3760.8155 3760.8155
1240 0.0024756439 -2211.5384 -2211.5384 -3542.7558 3542.7558
1250 0.0041839228 -2212.4358 -2212.4358 -3309.7579 3309.7579
1260 0.00019350505 -2209.2944 -2209.2944 -3498.3492 3498.3492
1270 0.0005266455 -2210.565 -2210.565 -3701.4099 3701.4099
1280 0.0013037694 -2211.6611 -2211.6611 -3514.6377 3514.6377
1290 0.00014758664 -2212.7112 -2212.7112 -3419.5491 3419.5491
1300 0.00056144907 -2213.0208 -2213.0208 -3366.2897 3366.2897
1310 1.2576152e-06 -2213.2324 -2213.2324 -3376.2886 3376.2886
1320 8.0337785e-05 -2213.2583 -2213.2583 -3398.8974 3398.8974
1330 7.8785645e-07 -2213.2969 -2213.2969 -3380.1374 3380.1374
1340 5.5694247e-06 -2213.2975 -2213.2975 -3385.1786 3385.1786
1350 6.9876434e-05 -2213.2909 -2213.2909 -3384.8581 3384.8581
Loop time of 0.203291 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2208.17179808 -2213.29319585 -2213.29085797
Force two-norm initial, final = 11.6554 0.335826
Force max component initial, final = 6.62337 0.0362959
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.182448 (89.7474)
Neigh time (%) = 0.00127506 (0.627211)
Comm time (%) = 0.00163937 (0.806414)
Outpt time (%) = 0.00131607 (0.647383)
Other time (%) = 0.0166121 (8.17157)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14258 ave 14258 max 14258 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14258
Ave neighs/atom = 27.9022
Neighbor list builds = 2
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1350 0 -2213.2909 -2213.2909 -3384.8586 3384.8586
1360 9.740913e-11 -2213.2909 -2213.2909 -3384.8586 3384.8586
1370 1.0680847e-09 -2213.2909 -2213.2909 -3384.8586 3384.8586
1380 5.2164951e-09 -2213.2909 -2213.2909 -3384.8585 3384.8585
1390 2.8072894e-08 -2213.2909 -2213.2909 -3384.8579 3384.8579
1400 1.1094315e-07 -2213.2908 -2213.2908 -3384.8557 3384.8557
1410 5.3869668e-07 -2213.2907 -2213.2907 -3384.8451 3384.8451
1420 2.0968729e-06 -2213.2904 -2213.2904 -3384.8124 3384.8124
1430 9.9189874e-06 -2213.2886 -2213.2886 -3384.7473 3384.7473
1440 3.162191e-05 -2213.2813 -2213.2813 -3385.2135 3385.2135
1450 8.1692841e-05 -2213.2346 -2213.2346 -3388.5611 3388.5611
1460 5.5542794e-09 -2213.2194 -2213.2194 -3390.1489 3390.1489
1470 3.2030586e-07 -2213.222 -2213.222 -3389.9284 3389.9284
1480 8.5704734e-07 -2213.2313 -2213.2313 -3389.5386 3389.5386
1490 2.3162399e-10 -2213.2352 -2213.2352 -3389.2452 3389.2452
1500 4.2370897e-08 -2213.2356 -2213.2356 -3389.2006 3389.2006
1510 1.7640748e-07 -2213.2388 -2213.2388 -3388.9272 3388.9272
Loop time of 0.160341 on 1 procs for 160 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29085797 -2213.23820957 -2213.23875112
Force two-norm initial, final = 0.335826 0.00809973
Force max component initial, final = 0.0362959 0.000736646
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 160 160
Pair time (%) = 0.140505 (87.6286)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00129938 (0.810386)
Outpt time (%) = 0.000983715 (0.613514)
Other time (%) = 0.0175533 (10.9475)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1550 0 -2212.7878 -2212.7878 -3603.9978 3603.9978
1560 8.5937597e-10 -2212.7878 -2212.7878 -3603.9976 3603.9976
1570 9.4221974e-09 -2212.7878 -2212.7878 -3603.9952 3603.9952
1580 4.5997797e-08 -2212.7878 -2212.7878 -3603.9849 3603.9849
1590 2.4700006e-07 -2212.7879 -2212.7879 -3603.9283 3603.9283
1600 9.6740827e-07 -2212.7884 -2212.7884 -3603.7217 3603.7217
1610 4.5086458e-06 -2212.7905 -2212.7905 -3602.6662 3602.6662
1620 1.4938245e-05 -2212.797 -2212.797 -3598.91 3598.91
1630 3.368484e-05 -2212.8116 -2212.8116 -3581.0284 3581.0284
1640 2.2812554e-05 -2212.819 -2212.819 -3561.2473 3561.2473
1650 1.6694571e-05 -2212.8229 -2212.8229 -3537.3927 3537.3927
1660 1.178121e-05 -2212.8229 -2212.8229 -3524.9391 3524.9391
1670 6.2482459e-07 -2212.8265 -2212.8265 -3531.1619 3531.1619
1680 1.0890234e-06 -2212.827 -2212.827 -3534.188 3534.188
1690 3.986313e-08 -2212.8271 -2212.8271 -3540.0966 3540.0966
1700 3.6991708e-08 -2212.8272 -2212.8272 -3540.5581 3540.5581
1710 1.0460742e-07 -2212.8273 -2212.8273 -3539.2859 3539.2859
1716 9.1985495e-09 -2212.8273 -2212.8273 -3538.6767 3538.6767
Loop time of 0.166743 on 1 procs for 166 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.78775693 -2212.82728644 -2212.827288
Force two-norm initial, final = 0.997487 0.00937149
Force max component initial, final = 0.231841 0.00102351
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 166 166
Pair time (%) = 0.152166 (91.2576)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0013783 (0.8266)
Outpt time (%) = 0.00105739 (0.634141)
Other time (%) = 0.0121417 (7.28169)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14248 ave 14248 max 14248 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14248
Ave neighs/atom = 27.8826
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1716 0 -2212.8273 -2212.8273 -3538.6767 3538.6767
1717 6.1538879e-16 -2212.8273 -2212.8273 -3538.6767 3538.6767
Loop time of 0.00216007 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.827288 -2212.827288 -2212.827288
Force two-norm initial, final = 0.00937371 0.00937371
Force max component initial, final = 0.00102355 0.00102355
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00194597 (90.0883)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.739514)
Outpt time (%) = 0 (0)
Other time (%) = 0.000198126 (9.17219)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14250 ave 14250 max 14250 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14250
Ave neighs/atom = 27.8865
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1950 0 -2209.3761 -2209.3761 -3142.2135 3142.2135
1960 8.0693615e-08 -2209.3762 -2209.3762 -3142.2256 3142.2256
1970 8.8464021e-07 -2209.3766 -2209.3766 -3142.3526 3142.3526
1980 4.3168586e-06 -2209.3787 -2209.3787 -3142.9055 3142.9055
1990 2.3126608e-05 -2209.3902 -2209.3902 -3145.9262 3145.9262
2000 8.9819028e-05 -2209.4311 -2209.4311 -3156.7676 3156.7676
2010 0.00040151573 -2209.6209 -2209.6209 -3207.9128 3207.9128
2020 0.0011726103 -2210.098 -2210.098 -3344.7411 3344.7411
2030 0.0019560621 -2210.9298 -2210.9298 -3581.0137 3581.0137
2040 0.00078571943 -2211.5357 -2211.5357 -3446.0011 3446.0011
2050 6.3506492e-06 -2212.4197 -2212.4197 -3498.58 3498.58
2060 0.00024646572 -2212.3642 -2212.3642 -3493.4062 3493.4062
2070 7.9785049e-05 -2212.1449 -2212.1449 -3500.0533 3500.0533
2080 0.00014139966 -2211.6501 -2211.6501 -3498.8228 3498.8228
2090 8.8179033e-06 -2211.6034 -2211.6034 -3481.3701 3481.3701
2100 5.8560005e-07 -2211.4398 -2211.4398 -3463.5113 3463.5113
2110 5.9613318e-07 -2211.4379 -2211.4379 -3482.3939 3482.3939
2120 1.3118683e-06 -2211.4286 -2211.4286 -3475.6555 3475.6555
2130 2.1594801e-06 -2211.3815 -2211.3815 -3472.4272 3472.4272
2140 1.1837736e-07 -2211.358 -2211.358 -3476.0878 3476.0878
2150 6.016045e-08 -2211.3398 -2211.3398 -3473.3638 3473.3638
Loop time of 0.203043 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2209.37612147 -2211.33982433 -2211.33982433
Force two-norm initial, final = 9.66579 0.127962
Force max component initial, final = 5.33469 0.0713942
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.183336 (90.2941)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00160146 (0.788728)
Outpt time (%) = 0.00134349 (0.661677)
Other time (%) = 0.0167623 (8.25552)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14232 ave 14232 max 14232 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14232
Ave neighs/atom = 27.8513
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2150 0 -2211.3398 -2211.3398 -3473.3638 3473.3638
2160 1.4142515e-11 -2211.3398 -2211.3398 -3473.3639 3473.3639
2170 1.5504963e-10 -2211.3398 -2211.3398 -3473.3647 3473.3647
2180 7.5673771e-10 -2211.3398 -2211.3398 -3473.3681 3473.3681
2190 4.0578306e-09 -2211.3398 -2211.3398 -3473.3868 3473.3868
2200 1.5811818e-08 -2211.3398 -2211.3398 -3473.4548 3473.4548
2210 7.174816e-08 -2211.3398 -2211.3398 -3473.794 3473.794
2220 2.1504708e-07 -2211.3396 -2211.3396 -3474.8973 3474.8973
2230 1.4681933e-07 -2211.3381 -2211.3381 -3477.9351 3477.9351
2240 1.5319066e-07 -2211.3341 -2211.3341 -3475.7509 3475.7509
2250 3.8051471e-07 -2211.3205 -2211.3205 -3476.1759 3476.1759
2260 3.1536309e-09 -2211.3176 -2211.3176 -3476.7038 3476.7038
2263 7.436273e-09 -2211.3174 -2211.3174 -3476.4686 3476.4686
Loop time of 0.116555 on 1 procs for 113 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2211.33982433 -2211.31748495 -2211.31741581
Force two-norm initial, final = 0.127962 0.00946178
Force max component initial, final = 0.0713942 0.00261171
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 113 113
Pair time (%) = 0.105618 (90.6167)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000988245 (0.847879)
Outpt time (%) = 0.000732183 (0.628187)
Other time (%) = 0.00921631 (7.90726)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14240 ave 14240 max 14240 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14240
Ave neighs/atom = 27.8669
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2350 0 -2212.7804 -2212.7804 -3607.4239 3607.4239
2360 9.4000454e-10 -2212.7804 -2212.7804 -3607.4237 3607.4237
2370 1.0306238e-08 -2212.7804 -2212.7804 -3607.4212 3607.4212
2380 5.031458e-08 -2212.7804 -2212.7804 -3607.4106 3607.4106
2390 2.7020258e-07 -2212.7805 -2212.7805 -3607.352 3607.352
2400 1.058764e-06 -2212.781 -2212.781 -3607.1382 3607.1382
2410 4.9426779e-06 -2212.7834 -2212.7834 -3606.0444 3606.0444
2420 1.654706e-05 -2212.7905 -2212.7905 -3602.1273 3602.1273
2430 3.9147993e-05 -2212.8065 -2212.8065 -3582.9604 3582.9604
2440 2.599912e-05 -2212.8147 -2212.8147 -3562.2477 3562.2477
2450 1.9911897e-05 -2212.8202 -2212.8202 -3539.4891 3539.4891
2460 1.0451866e-05 -2212.825 -2212.825 -3537.3626 3537.3626
2470 1.2480977e-06 -2212.8265 -2212.8265 -3534.4046 3534.4046
2480 1.3635312e-06 -2212.8269 -2212.8269 -3537.8031 3537.8031
2490 2.854552e-07 -2212.827 -2212.827 -3538.2063 3538.2063
2500 4.1826301e-08 -2212.827 -2212.827 -3538.3754 3538.3754
2510 2.2559061e-07 -2212.8271 -2212.8271 -3539.1749 3539.1749
2520 3.613106e-07 -2212.8272 -2212.8272 -3540.6302 3540.6302
2527 2.7240166e-08 -2212.8273 -2212.8273 -3540.3483 3540.3483
Loop time of 0.178356 on 1 procs for 177 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.78036278 -2212.82727357 -2212.82727535
Force two-norm initial, final = 1.04323 0.00967124
Force max component initial, final = 0.23682 0.00197849
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 177 177
Pair time (%) = 0.163089 (91.4403)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00141358 (0.792563)
Outpt time (%) = 0.00113106 (0.634158)
Other time (%) = 0.012722 (7.13294)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14248 ave 14248 max 14248 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14248
Ave neighs/atom = 27.8826
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2527 0 -2212.8273 -2212.8273 -3540.3483 3540.3483
2530 6.5117747e-15 -2212.8273 -2212.8273 -3540.3483 3540.3483
2540 1.9545235e-13 -2212.8273 -2212.8273 -3540.3483 3540.3483
2550 1.6784108e-12 -2212.8273 -2212.8273 -3540.3483 3540.3483
2560 7.7534117e-12 -2212.8273 -2212.8273 -3540.3482 3540.3482
2570 4.0273262e-11 -2212.8273 -2212.8273 -3540.3478 3540.3478
2580 1.5728048e-10 -2212.8273 -2212.8273 -3540.3465 3540.3465
2584 2.9457297e-10 -2212.8273 -2212.8273 -3540.3449 3540.3449
Loop time of 0.0581429 on 1 procs for 57 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.82727535 -2212.82727544 -2212.82727546
Force two-norm initial, final = 0.010164 0.00999439
Force max component initial, final = 0.00221896 0.00221473
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 57 57
Pair time (%) = 0.0530813 (91.2945)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000464678 (0.7992)
Outpt time (%) = 0.000439882 (0.756554)
Other time (%) = 0.00415707 (7.14974)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14250 ave 14250 max 14250 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14250
Ave neighs/atom = 27.8865
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2800 0 -2208.8483 -2208.8483 -3052.5382 3052.5382
2810 1.0526723e-07 -2208.8484 -2208.8484 -3052.554 3052.554
2820 1.1540113e-06 -2208.849 -2208.849 -3052.719 3052.719
2830 5.6307037e-06 -2208.8517 -2208.8517 -3053.4377 3053.4377
2840 3.0146991e-05 -2208.8667 -2208.8667 -3057.3621 3057.3621
2850 0.00011682313 -2208.9199 -2208.9199 -3071.417 3071.417
2860 0.00051666017 -2209.163 -2209.163 -3137.0904 3137.0904
2870 0.0014589928 -2209.7452 -2209.7452 -3307.7773 3307.7773
2880 0.0021638981 -2210.6474 -2210.6474 -3593.9277 3593.9277
2890 0.00083599037 -2211.2809 -2211.2809 -3429.1378 3429.1378
2900 0.001071445 -2212.3606 -2212.3606 -3459.5023 3459.5023
2910 2.2055098e-05 -2212.4862 -2212.4862 -3480.818 3480.818
2920 0.00015499474 -2212.3629 -2212.3629 -3474.9632 3474.9632
2930 0.00024444951 -2211.5607 -2211.5607 -3445.2075 3445.2075
2940 1.2317244e-06 -2211.2116 -2211.2116 -3459.6284 3459.6284
2950 1.0919294e-05 -2211.2288 -2211.2288 -3486.2261 3486.2261
2960 1.6502675e-06 -2211.2494 -2211.2494 -3474.589 3474.589
2970 1.6690579e-07 -2211.2514 -2211.2514 -3477.3058 3477.3058
2980 4.4074837e-07 -2211.2592 -2211.2592 -3475.0467 3475.0467
2990 1.5269423e-06 -2211.284 -2211.284 -3473.9852 3473.9852
3000 8.0527694e-09 -2211.2972 -2211.2972 -3477.6674 3477.6674
Loop time of 0.201283 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2208.84830981 -2211.29722847 -2211.29722847
Force two-norm initial, final = 11.0399 0.0851206
Force max component initial, final = 6.46908 0.0426169
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.179863 (89.3585)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00162697 (0.808299)
Outpt time (%) = 0.00133133 (0.661422)
Other time (%) = 0.0184612 (9.17178)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14232 ave 14232 max 14232 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14232
Ave neighs/atom = 27.8513
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
3000 0 -2211.2972 -2211.2972 -3477.6674 3477.6674
3010 6.2579993e-12 -2211.2972 -2211.2972 -3477.6674 3477.6674
3020 6.860886e-11 -2211.2972 -2211.2972 -3477.6668 3477.6668
3030 3.348551e-10 -2211.2972 -2211.2972 -3477.6645 3477.6645
3040 1.79564e-09 -2211.2972 -2211.2972 -3477.6519 3477.6519
3050 6.9975603e-09 -2211.2972 -2211.2972 -3477.6058 3477.6058
3060 3.1771832e-08 -2211.2972 -2211.2972 -3477.3753 3477.3753
3070 9.5376116e-08 -2211.2969 -2211.2969 -3476.6213 3476.6213
3080 9.2928516e-08 -2211.2953 -2211.2953 -3474.4887 3474.4887
3090 1.4617599e-07 -2211.2912 -2211.2912 -3476.0725 3476.0725
3100 2.7727432e-07 -2211.2813 -2211.2813 -3476.6436 3476.6436
3105 3.4708892e-08 -2211.2815 -2211.2815 -3475.5206 3475.5206
Loop time of 0.106131 on 1 procs for 105 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2211.29722847 -2211.28141339 -2211.28152071
Force two-norm initial, final = 0.0851206 0.00924307
Force max component initial, final = 0.0426169 0.00347619
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 105 105
Pair time (%) = 0.0956087 (90.0855)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000867367 (0.81726)
Outpt time (%) = 0.000653505 (0.615753)
Other time (%) = 0.00900149 (8.48149)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14240 ave 14240 max 14240 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14240
Ave neighs/atom = 27.8669
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1600 0 -2213.2863 -2213.2863 -3390.9484 3390.9484
1610 1.0802774e-10 -2213.2863 -2213.2863 -3390.9484 3390.9484
1620 1.1844524e-09 -2213.2863 -2213.2863 -3390.948 3390.948
1630 5.7831676e-09 -2213.2863 -2213.2863 -3390.9462 3390.9462
1640 3.1078516e-08 -2213.2863 -2213.2863 -3390.9364 3390.9364
1650 1.2208808e-07 -2213.2863 -2213.2863 -3390.9009 3390.9009
1660 5.7742399e-07 -2213.2866 -2213.2866 -3390.7223 3390.7223
1670 2.0298286e-06 -2213.2875 -2213.2875 -3390.1249 3390.1249
1680 6.8071172e-06 -2213.2906 -2213.2906 -3387.8788 3387.8788
1690 1.1261376e-05 -2213.2959 -2213.2959 -3387.3281 3387.3281
1700 4.6856155e-05 -2213.3154 -2213.3154 -3385.2442 3385.2442
1710 9.4116868e-07 -2213.3347 -2213.3347 -3383.6652 3383.6652
1720 4.4255215e-07 -2213.3354 -2213.3354 -3383.3107 3383.3107
1730 1.6727692e-06 -2213.3364 -2213.3364 -3383.0534 3383.0534
1740 7.8758207e-08 -2213.337 -2213.337 -3383.4068 3383.4068
1750 2.4727639e-08 -2213.337 -2213.337 -3383.3204 3383.3204
1760 1.7823084e-07 -2213.3371 -2213.3371 -3383.2652 3383.2652
1770 3.6028417e-09 -2213.3373 -2213.3373 -3383.2802 3383.2802
1772 1.1996531e-08 -2213.3373 -2213.3373 -3383.3726 3383.3726
Loop time of 0.169733 on 1 procs for 172 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.28625932 -2213.33727477 -2213.33727692
Force two-norm initial, final = 0.353657 0.00966774
Force max component initial, final = 0.0444147 0.000878499
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 172 172
Pair time (%) = 0.154494 (91.0218)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00152445 (0.898145)
Outpt time (%) = 0.00113177 (0.666796)
Other time (%) = 0.0125828 (7.41328)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1772 0 -2213.3373 -2213.3373 -3383.3726 3383.3726
1780 8.6804618e-14 -2213.3373 -2213.3373 -3383.3726 3383.3726
1790 1.0956051e-12 -2213.3373 -2213.3373 -3383.3726 3383.3726
1800 6.0870408e-12 -2213.3373 -2213.3373 -3383.3726 3383.3726
1810 3.1462249e-11 -2213.3373 -2213.3373 -3383.3728 3383.3728
1820 1.3333439e-10 -2213.3373 -2213.3373 -3383.3734 3383.3734
1830 6.099352e-10 -2213.3373 -2213.3373 -3383.3761 3383.3761
1840 2.4806328e-09 -2213.3373 -2213.3373 -3383.3861 3383.3861
1850 1.1116394e-08 -2213.3373 -2213.3373 -3383.4177 3383.4177
1860 4.1573962e-08 -2213.3373 -2213.3373 -3383.4205 3383.4205
1870 1.8625256e-07 -2213.3372 -2213.3372 -3383.4593 3383.4593
1880 2.2607602e-08 -2213.337 -2213.337 -3383.6172 3383.6172
1890 2.3074993e-08 -2213.337 -2213.337 -3383.4198 3383.4198
1900 1.289123e-07 -2213.337 -2213.337 -3383.454 3383.454
1910 4.5748033e-07 -2213.3367 -2213.3367 -3383.4698 3383.4698
1920 3.7205062e-08 -2213.3366 -2213.3366 -3383.3878 3383.3878
1930 3.8853705e-07 -2213.3365 -2213.3365 -3383.4125 3383.4125
1940 1.9762349e-06 -2213.3354 -2213.3354 -3383.41 3383.41
1950 8.9280957e-08 -2213.334 -2213.334 -3383.2822 3383.2822
1960 9.879092e-07 -2213.3342 -2213.3342 -3384.1504 3384.1504
1970 2.5612794e-07 -2213.3337 -2213.3337 -3383.5982 3383.5982
1972 6.0480979e-07 -2213.3338 -2213.3338 -3383.7063 3383.7063
Loop time of 0.196566 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2213.33727692 -2213.33375964 -2213.33376945
Force two-norm initial, final = 0.013397 0.0794832
Force max component initial, final = 0.00108968 0.0061053
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.177464 (90.2819)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00160575 (0.8169)
Outpt time (%) = 0.00138855 (0.706403)
Other time (%) = 0.0161083 (8.19484)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1650 0 -2212.7686 -2212.7686 -3602.6038 3602.6038
1660 8.7893572e-10 -2212.7686 -2212.7686 -3602.6036 3602.6036
1670 9.636669e-09 -2212.7686 -2212.7686 -3602.6013 3602.6013
1680 4.7045423e-08 -2212.7686 -2212.7686 -3602.5912 3602.5912
1690 2.5263936e-07 -2212.7687 -2212.7687 -3602.5355 3602.5355
1700 9.8977617e-07 -2212.7692 -2212.7692 -3602.3322 3602.3322
1710 4.6179887e-06 -2212.7714 -2212.7714 -3601.2931 3601.2931
1720 1.5399697e-05 -2212.7781 -2212.7781 -3597.5833 3597.5833
1730 3.6104985e-05 -2212.7933 -2212.7933 -3579.7199 3579.7199
1740 2.9861401e-05 -2212.8036 -2212.8036 -3559.9 3559.9
1750 3.8769575e-05 -2212.8185 -2212.8185 -3534.3793 3534.3793
1760 1.1851774e-05 -2212.8227 -2212.8227 -3524.4561 3524.4561
1770 7.1136162e-07 -2212.8264 -2212.8264 -3529.6454 3529.6454
1780 1.3451539e-06 -2212.8269 -2212.8269 -3533.1959 3533.1959
1790 2.3958683e-07 -2212.8272 -2212.8272 -3537.7174 3537.7174
1800 3.3161034e-08 -2212.8272 -2212.8272 -3538.0995 3538.0995
1810 8.4450515e-08 -2212.8273 -2212.8273 -3538.3761 3538.3761
1820 1.5827837e-08 -2212.8273 -2212.8273 -3538.3645 3538.3645
1821 1.9143207e-08 -2212.8273 -2212.8273 -3538.376 3538.376
Loop time of 0.169756 on 1 procs for 171 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.76856497 -2212.82727661 -2212.82727816
Force two-norm initial, final = 1.00877 0.00819935
Force max component initial, final = 0.258592 0.000878457
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 171 171
Pair time (%) = 0.155079 (91.3542)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00137353 (0.80912)
Outpt time (%) = 0.00111413 (0.656313)
Other time (%) = 0.0121891 (7.1804)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14246 ave 14246 max 14246 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14246
Ave neighs/atom = 27.8787
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1821 0 -2212.8273 -2212.8273 -3538.376 3538.376
1822 4.6826184e-16 -2212.8273 -2212.8273 -3538.376 3538.376
Loop time of 0.00215316 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.82727816 -2212.82727816 -2212.82727816
Force two-norm initial, final = 0.00817676 0.00817676
Force max component initial, final = 0.000881382 0.000881382
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00192213 (89.2703)
Neigh time (%) = 0 (0)
Comm time (%) = 1.69277e-05 (0.786181)
Outpt time (%) = 0 (0)
Other time (%) = 0.0002141 (9.94353)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14250 ave 14250 max 14250 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14250
Ave neighs/atom = 27.8865
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1700 0 -2212.7595 -2212.7595 -3600.4028 3600.4028
1710 8.7015674e-10 -2212.7595 -2212.7595 -3600.4025 3600.4025
1720 9.540429e-09 -2212.7595 -2212.7595 -3600.4002 3600.4002
1730 4.6575687e-08 -2212.7595 -2212.7595 -3600.39 3600.39
1740 2.5012358e-07 -2212.7597 -2212.7597 -3600.3342 3600.3342
1750 9.7994321e-07 -2212.7601 -2212.7601 -3600.1303 3600.1303
1760 4.574271e-06 -2212.7623 -2212.7623 -3599.0894 3599.0894
1770 1.5255516e-05 -2212.769 -2212.769 -3595.394 3595.394
1780 3.6883641e-05 -2212.7851 -2212.7851 -3577.9685 3577.9685
1790 3.8159243e-05 -2212.7988 -2212.7988 -3558.3802 3558.3802
1800 5.1200792e-05 -2212.8186 -2212.8186 -3534.6019 3534.6019
1810 9.4830182e-06 -2212.8241 -2212.8241 -3529.0538 3529.0538
1820 1.0897834e-06 -2212.8255 -2212.8255 -3530.9746 3530.9746
1830 2.0851265e-06 -2212.8264 -2212.8264 -3533.3813 3533.3813
1840 3.3631323e-07 -2212.827 -2212.827 -3537.7112 3537.7112
1850 4.6638693e-08 -2212.8272 -2212.8272 -3538.5443 3538.5443
1860 1.3928263e-07 -2212.8272 -2212.8272 -3538.5303 3538.5303
1870 2.3270634e-07 -2212.8273 -2212.8273 -3538.2868 3538.2868
1874 2.269463e-08 -2212.8273 -2212.8273 -3538.3821 3538.3821
Loop time of 0.173377 on 1 procs for 174 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.75951715 -2212.82728046 -2212.82728326
Force two-norm initial, final = 1.00372 0.00636652
Force max component initial, final = 0.243856 0.000631606
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 174 174
Pair time (%) = 0.158558 (91.4526)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0013845 (0.798547)
Outpt time (%) = 0.00111461 (0.64288)
Other time (%) = 0.01232 (7.10592)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14244 ave 14244 max 14244 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14244
Ave neighs/atom = 27.8748
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1874 0 -2212.8273 -2212.8273 -3538.3821 3538.3821
1875 2.829222e-16 -2212.8273 -2212.8273 -3538.3821 3538.3821
Loop time of 0.00213885 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.82728326 -2212.82728326 -2212.82728326
Force two-norm initial, final = 0.0063558 0.0063558
Force max component initial, final = 0.000631226 0.000631226
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00192404 (89.9565)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.746851)
Outpt time (%) = 0 (0)
Other time (%) = 0.000198841 (9.29662)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14250 ave 14250 max 14250 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14250
Ave neighs/atom = 27.8865
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1650 0 -2212.7682 -2212.7682 -3599.2807 3599.2807
1660 9.268466e-10 -2212.7682 -2212.7682 -3599.2805 3599.2805
1670 1.0161993e-08 -2212.7682 -2212.7682 -3599.2783 3599.2783
1680 4.9610717e-08 -2212.7682 -2212.7682 -3599.2685 3599.2685
1690 2.664343e-07 -2212.7684 -2212.7684 -3599.2149 3599.2149
1700 1.0441327e-06 -2212.7689 -2212.7689 -3599.019 3599.019
1710 4.8784226e-06 -2212.7712 -2212.7712 -3598.0171 3598.0171
1720 1.6377278e-05 -2212.7783 -2212.7783 -3594.4355 3594.4355
1730 4.0569306e-05 -2212.795 -2212.795 -3576.9883 3576.9883
1740 3.2216852e-05 -2212.8058 -2212.8058 -3557.8087 3557.8087
1750 3.4142643e-05 -2212.8187 -2212.8187 -3535.0805 3535.0805
1760 9.7225873e-06 -2212.8248 -2212.8248 -3534.8424 3534.8424
1770 1.3829235e-06 -2212.8257 -2212.8257 -3532.4685 3532.4685
1780 1.6660152e-06 -2212.8263 -2212.8263 -3536.2211 3536.2211
1790 2.3469332e-07 -2212.8269 -2212.8269 -3539.3831 3539.3831
1800 5.409558e-08 -2212.827 -2212.827 -3539.2313 3539.2313
1810 2.0818443e-07 -2212.8271 -2212.8271 -3539.2075 3539.2075
1820 3.9870602e-07 -2212.8272 -2212.8272 -3538.7326 3538.7326
1830 5.808441e-09 -2212.8273 -2212.8273 -3538.7284 3538.7284
1832 9.2827974e-09 -2212.8273 -2212.8273 -3538.7293 3538.7293
Loop time of 0.180799 on 1 procs for 182 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.76821418 -2212.82725412 -2212.82725501
Force two-norm initial, final = 1.0359 0.00869468
Force max component initial, final = 0.212886 0.000758994
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 182 182
Pair time (%) = 0.165241 (91.3949)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00146151 (0.808359)
Outpt time (%) = 0.00118852 (0.657369)
Other time (%) = 0.012908 (7.13941)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14248 ave 14248 max 14248 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14248
Ave neighs/atom = 27.8826
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1832 0 -2212.8273 -2212.8273 -3538.7293 3538.7293
1833 5.384049e-16 -2212.8273 -2212.8273 -3538.7293 3538.7293
Loop time of 0.002141 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.82725501 -2212.82725501 -2212.82725501
Force two-norm initial, final = 0.00876782 0.00876782
Force max component initial, final = 0.000851202 0.000851202
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00191808 (89.588)
Neigh time (%) = 0 (0)
Comm time (%) = 1.81198e-05 (0.846325)
Outpt time (%) = 0 (0)
Other time (%) = 0.000204802 (9.5657)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14250 ave 14250 max 14250 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14250
Ave neighs/atom = 27.8865
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1700 0 -2212.7706 -2212.7706 -3600.945 3600.945
1710 9.6223116e-10 -2212.7706 -2212.7706 -3600.9448 3600.9448
1720 1.0549943e-08 -2212.7706 -2212.7706 -3600.9425 3600.9425
1730 5.1504273e-08 -2212.7707 -2212.7707 -3600.9326 3600.9326
1740 2.7659629e-07 -2212.7708 -2212.7708 -3600.878 3600.878
1750 1.0837588e-06 -2212.7713 -2212.7713 -3600.6789 3600.6789
1760 5.0608001e-06 -2212.7737 -2212.7737 -3599.661 3599.661
1770 1.6923524e-05 -2212.7811 -2212.7811 -3596.0336 3596.0336
1780 4.1687166e-05 -2212.7987 -2212.7987 -3578.6059 3578.6059
1790 3.498365e-05 -2212.8105 -2212.8105 -3559.4096 3559.4096
1800 2.9547732e-05 -2212.8205 -2212.8205 -3536.032 3536.032
1810 7.0445297e-06 -2212.8246 -2212.8246 -3534.1361 3534.1361
1820 1.4793092e-06 -2212.8254 -2212.8254 -3536.9234 3536.9234
1830 2.3176094e-06 -2212.8263 -2212.8263 -3538.2009 3538.2009
1840 7.8037763e-07 -2212.8269 -2212.8269 -3541.9674 3541.9674
1850 6.5791673e-08 -2212.827 -2212.827 -3541.4509 3541.4509
1860 2.9677171e-07 -2212.8271 -2212.8271 -3540.0795 3540.0795
1870 5.1967199e-07 -2212.8273 -2212.8273 -3538.2186 3538.2186
1880 1.9779332e-08 -2212.8273 -2212.8273 -3538.4209 3538.4209
1881 2.3711328e-08 -2212.8273 -2212.8273 -3538.4474 3538.4474
Loop time of 0.179999 on 1 procs for 181 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.77062683 -2212.82728974 -2212.82729154
Force two-norm initial, final = 1.05549 0.00576726
Force max component initial, final = 0.270855 0.000718279
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 181 181
Pair time (%) = 0.164816 (91.5652)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00146151 (0.811953)
Outpt time (%) = 0.00119638 (0.664662)
Other time (%) = 0.0125246 (6.95816)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14246 ave 14246 max 14246 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14246
Ave neighs/atom = 27.8787
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1881 0 -2212.8273 -2212.8273 -3538.4474 3538.4474
1882 2.3601867e-16 -2212.8273 -2212.8273 -3538.4474 3538.4474
Loop time of 0.00213408 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.82729154 -2212.82729154 -2212.82729154
Force two-norm initial, final = 0.00580511 0.00580511
Force max component initial, final = 0.000718187 0.000718187
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00192213 (90.0681)
Neigh time (%) = 0 (0)
Comm time (%) = 1.62125e-05 (0.759692)
Outpt time (%) = 0 (0)
Other time (%) = 0.000195742 (9.17216)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14250 ave 14250 max 14250 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14250
Ave neighs/atom = 27.8865
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1750 0 -2212.7706 -2212.7706 -3600.9604 3600.9604
1760 9.5814417e-10 -2212.7706 -2212.7706 -3600.9602 3600.9602
1770 1.0505133e-08 -2212.7706 -2212.7706 -3600.9579 3600.9579
1780 5.1285519e-08 -2212.7706 -2212.7706 -3600.948 3600.948
1790 2.754216e-07 -2212.7708 -2212.7708 -3600.8934 3600.8934
1800 1.0791585e-06 -2212.7713 -2212.7713 -3600.6941 3600.6941
1810 5.0393454e-06 -2212.7737 -2212.7737 -3599.6754 3599.6754
1820 1.6851779e-05 -2212.781 -2212.781 -3596.0458 3596.0458
1830 4.1480935e-05 -2212.7986 -2212.7986 -3578.6184 3578.6184
1840 3.5128842e-05 -2212.8104 -2212.8104 -3559.4279 3559.4279
1850 2.9742858e-05 -2212.8205 -2212.8205 -3536.0368 3536.0368
1860 1.0204024e-05 -2212.8222 -2212.8222 -3529.728 3529.728
1870 2.6810371e-06 -2212.8258 -2212.8258 -3533.1858 3533.1858
1880 2.2305278e-06 -2212.8266 -2212.8266 -3534.3792 3534.3792
1890 2.4498664e-07 -2212.8271 -2212.8271 -3537.7385 3537.7385
1900 3.8943798e-08 -2212.8272 -2212.8272 -3538.3822 3538.3822
1910 1.087021e-07 -2212.8273 -2212.8273 -3538.6225 3538.6225
1920 1.3894718e-08 -2212.8273 -2212.8273 -3538.6645 3538.6645
1922 2.2626357e-08 -2212.8273 -2212.8273 -3538.6747 3538.6747
Loop time of 0.176228 on 1 procs for 172 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.77061246 -2212.82727708 -2212.82727882
Force two-norm initial, final = 1.05325 0.00808727
Force max component initial, final = 0.270605 0.000828594
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 172 172
Pair time (%) = 0.160968 (91.3409)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00140142 (0.795233)
Outpt time (%) = 0.00120258 (0.682402)
Other time (%) = 0.0126557 (7.18145)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14246 ave 14246 max 14246 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14246
Ave neighs/atom = 27.8787
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1922 0 -2212.8273 -2212.8273 -3538.6747 3538.6747
1923 4.8847728e-16 -2212.8273 -2212.8273 -3538.6747 3538.6747
Loop time of 0.00220394 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.82727882 -2212.82727882 -2212.82727882
Force two-norm initial, final = 0.0083514 0.0083514
Force max component initial, final = 0.00132471 0.00132471
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00198698 (90.1558)
Neigh time (%) = 0 (0)
Comm time (%) = 1.38283e-05 (0.627434)
Outpt time (%) = 0 (0)
Other time (%) = 0.000203133 (9.21679)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14250 ave 14250 max 14250 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14250
Ave neighs/atom = 27.8865
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1800 0 -2212.7707 -2212.7707 -3600.9416 3600.9416
1810 9.5571092e-10 -2212.7707 -2212.7707 -3600.9414 3600.9414
1820 1.0478455e-08 -2212.7707 -2212.7707 -3600.9391 3600.9391
1830 5.1155296e-08 -2212.7707 -2212.7707 -3600.9292 3600.9292
1840 2.7472257e-07 -2212.7708 -2212.7708 -3600.8746 3600.8746
1850 1.0764276e-06 -2212.7713 -2212.7713 -3600.6752 3600.6752
1860 5.026701e-06 -2212.7738 -2212.7738 -3599.6563 3599.6563
1870 1.6811378e-05 -2212.7811 -2212.7811 -3596.0256 3596.0256
1880 4.1356085e-05 -2212.7986 -2212.7986 -3578.5929 3578.5929
1890 3.518526e-05 -2212.8104 -2212.8104 -3559.406 3559.406
1900 2.976366e-05 -2212.8205 -2212.8205 -3536.0033 3536.0033
1910 7.056684e-06 -2212.8246 -2212.8246 -3534.1124 3534.1124
1920 1.4946329e-06 -2212.8254 -2212.8254 -3536.9156 3536.9156
1930 2.3349642e-06 -2212.8263 -2212.8263 -3538.19 3538.19
1940 7.9039489e-07 -2212.8269 -2212.8269 -3541.9617 3541.9617
1950 6.6535629e-08 -2212.827 -2212.827 -3541.4448 3541.4448
1960 2.9649382e-07 -2212.8271 -2212.8271 -3540.0757 3540.0757
1970 5.1705282e-07 -2212.8273 -2212.8273 -3538.1792 3538.1792
1980 2.0184438e-08 -2212.8273 -2212.8273 -3538.4317 3538.4317
1981 2.4190712e-08 -2212.8273 -2212.8273 -3538.4559 3538.4559
Loop time of 0.186222 on 1 procs for 181 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.77067863 -2212.82728967 -2212.82729148
Force two-norm initial, final = 1.05191 0.00572582
Force max component initial, final = 0.270509 0.000710928
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 181 181
Pair time (%) = 0.170076 (91.3299)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00153089 (0.822075)
Outpt time (%) = 0.00118828 (0.638097)
Other time (%) = 0.0134265 (7.20996)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14246 ave 14246 max 14246 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14246
Ave neighs/atom = 27.8787
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1981 0 -2212.8273 -2212.8273 -3538.4559 3538.4559
1982 2.3316598e-16 -2212.8273 -2212.8273 -3538.4559 3538.4559
Loop time of 0.00213885 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.82729148 -2212.82729148 -2212.82729148
Force two-norm initial, final = 0.00576992 0.00576992
Force max component initial, final = 0.000710828 0.000710828
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00192308 (89.9119)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.746851)
Outpt time (%) = 0 (0)
Other time (%) = 0.000199795 (9.34121)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14250 ave 14250 max 14250 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14250
Ave neighs/atom = 27.8865
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1850 0 -2212.7712 -2212.7712 -3600.7788 3600.7788
1860 9.6004416e-10 -2212.7712 -2212.7712 -3600.7786 3600.7786
1870 1.0525966e-08 -2212.7712 -2212.7712 -3600.7764 3600.7764
1880 5.1387302e-08 -2212.7712 -2212.7712 -3600.7664 3600.7664
1890 2.7596958e-07 -2212.7714 -2212.7714 -3600.712 3600.712
1900 1.0813419e-06 -2212.7719 -2212.7719 -3600.5131 3600.5131
1910 5.0500383e-06 -2212.7743 -2212.7743 -3599.4963 3599.4963
1920 1.6898172e-05 -2212.7816 -2212.7816 -3595.8701 3595.8701
1930 4.1564294e-05 -2212.7992 -2212.7992 -3578.4118 3578.4118
1940 3.472143e-05 -2212.8109 -2212.8109 -3559.2126 3559.2126
1950 2.8964331e-05 -2212.8206 -2212.8206 -3535.7979 3535.7979
1960 7.0904798e-06 -2212.8246 -2212.8246 -3534.0695 3534.0695
1970 1.5038271e-06 -2212.8255 -2212.8255 -3536.8473 3536.8473
1980 2.2908421e-06 -2212.8263 -2212.8263 -3538.1442 3538.1442
1990 8.0326403e-07 -2212.8269 -2212.8269 -3541.9252 3541.9252
2000 6.8185446e-08 -2212.827 -2212.827 -3541.4147 3541.4147
2010 2.899748e-07 -2212.8271 -2212.8271 -3540.0514 3540.0514
2020 5.0998536e-07 -2212.8272 -2212.8272 -3538.0818 3538.0818
2030 2.2838113e-08 -2212.8273 -2212.8273 -3538.4589 3538.4589
2031 2.7299721e-08 -2212.8273 -2212.8273 -3538.4762 3538.4762
Loop time of 0.180184 on 1 procs for 181 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.77119901 -2212.8272894 -2212.82729137
Force two-norm initial, final = 1.05429 0.00563712
Force max component initial, final = 0.271423 0.000667941
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 181 181
Pair time (%) = 0.164623 (91.364)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00144482 (0.801856)
Outpt time (%) = 0.00119781 (0.664773)
Other time (%) = 0.012918 (7.16933)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14246 ave 14246 max 14246 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14246
Ave neighs/atom = 27.8787
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2031 0 -2212.8273 -2212.8273 -3538.4762 3538.4762
2032 2.2685488e-16 -2212.8273 -2212.8273 -3538.4762 3538.4762
Loop time of 0.0021379 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.82729137 -2212.82729137 -2212.82729137
Force two-norm initial, final = 0.00569129 0.00569129
Force max component initial, final = 0.000667831 0.000667831
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00191998 (89.8071)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.747184)
Outpt time (%) = 0 (0)
Other time (%) = 0.000201941 (9.44575)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14250 ave 14250 max 14250 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14250
Ave neighs/atom = 27.8865
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1900 0 -2212.7717 -2212.7717 -3600.5952 3600.5952
1910 9.478401e-10 -2212.7717 -2212.7717 -3600.595 3600.595
1920 1.0392157e-08 -2212.7717 -2212.7717 -3600.5927 3600.5927
1930 5.0733975e-08 -2212.7717 -2212.7717 -3600.5827 3600.5827
1940 2.7245872e-07 -2212.7719 -2212.7719 -3600.5278 3600.5278
1950 1.0675529e-06 -2212.7724 -2212.7724 -3600.3274 3600.3274
1960 4.9848255e-06 -2212.7747 -2212.7747 -3599.3031 3599.3031
1970 1.6667175e-05 -2212.782 -2212.782 -3595.6512 3595.6512
1980 4.0669937e-05 -2212.7993 -2212.7993 -3578.1166 3578.1166
1990 3.5205111e-05 -2212.8111 -2212.8111 -3558.9549 3558.9549
2000 2.9282287e-05 -2212.8209 -2212.8209 -3535.4486 3535.4486
2010 7.0855024e-06 -2212.8246 -2212.8246 -3533.803 3533.803
2020 1.5192634e-06 -2212.8255 -2212.8255 -3536.6159 3536.6159
2030 2.3187283e-06 -2212.8264 -2212.8264 -3537.9453 3537.9453
2040 2.2113308e-07 -2212.8269 -2212.8269 -3541.0849 3541.0849
2050 2.9852832e-07 -2212.827 -2212.827 -3540.7432 3540.7432
2060 1.4152327e-07 -2212.8272 -2212.8272 -3539.8144 3539.8144
2070 3.5216349e-08 -2212.8272 -2212.8272 -3539.6709 3539.6709
2080 1.1674964e-07 -2212.8272 -2212.8272 -3539.607 3539.607
2087 4.1557362e-08 -2212.8273 -2212.8273 -3539.3305 3539.3305
Loop time of 0.185696 on 1 procs for 187 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.77170218 -2212.82725451 -2212.82725718
Force two-norm initial, final = 1.04757 0.00710606
Force max component initial, final = 0.271511 0.000585812
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 187 187
Pair time (%) = 0.16998 (91.5367)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00150466 (0.810282)
Outpt time (%) = 0.00119543 (0.643757)
Other time (%) = 0.013016 (7.0093)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14246 ave 14246 max 14246 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14246
Ave neighs/atom = 27.8787
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2087 0 -2212.8273 -2212.8273 -3539.3305 3539.3305
2088 3.71263e-16 -2212.8273 -2212.8273 -3539.3305 3539.3305
Loop time of 0.00214219 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.82725718 -2212.82725718 -2212.82725718
Force two-norm initial, final = 0.00728078 0.00728078
Force max component initial, final = 0.000741364 0.000741364
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00192499 (89.8609)
Neigh time (%) = 0 (0)
Comm time (%) = 1.40667e-05 (0.65665)
Outpt time (%) = 0 (0)
Other time (%) = 0.000203133 (9.48247)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14250 ave 14250 max 14250 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14250
Ave neighs/atom = 27.8865
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1700 0 -2213.3089 -2213.3089 -3383.7152 3383.7152
1710 1.2706107e-10 -2213.3089 -2213.3089 -3383.7152 3383.7152
1720 1.3931188e-09 -2213.3089 -2213.3089 -3383.7154 3383.7154
1730 6.8015677e-09 -2213.3089 -2213.3089 -3383.7165 3383.7165
1740 3.6537919e-08 -2213.3089 -2213.3089 -3383.722 3383.722
1750 1.4335741e-07 -2213.309 -2213.309 -3383.7421 3383.7421
1760 6.7346641e-07 -2213.3093 -2213.3093 -3383.8412 3383.8412
1770 2.3197646e-06 -2213.3103 -2213.3103 -3384.149 3384.149
1780 7.069277e-06 -2213.3133 -2213.3133 -3384.9252 3384.9252
1790 1.2648725e-05 -2213.3184 -2213.3184 -3384.2334 3384.2334
1800 2.7057569e-05 -2213.3306 -2213.3306 -3383.7139 3383.7139
1810 1.1923999e-06 -2213.3352 -2213.3352 -3383.8118 3383.8118
1820 4.1259263e-07 -2213.3355 -2213.3355 -3383.8868 3383.8868
1830 1.2556148e-06 -2213.3361 -2213.3361 -3383.6101 3383.6101
1840 3.8549982e-08 -2213.3369 -2213.3369 -3383.2553 3383.2553
1850 3.8227485e-08 -2213.337 -2213.337 -3383.3721 3383.3721
1860 2.6570168e-07 -2213.3372 -2213.3372 -3383.3739 3383.3739
1870 4.5683563e-09 -2213.3373 -2213.3373 -3383.3274 3383.3274
1880 4.2561936e-09 -2213.3374 -2213.3374 -3383.4072 3383.4072
1882 6.2661024e-09 -2213.3374 -2213.3374 -3383.4038 3383.4038
Loop time of 0.178704 on 1 procs for 182 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.30891385 -2213.33735954 -2213.33736001
Force two-norm initial, final = 0.38355 0.00653489
Force max component initial, final = 0.0324658 0.000508704
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 182 182
Pair time (%) = 0.161676 (90.4712)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00151253 (0.846387)
Outpt time (%) = 0.00117302 (0.656403)
Other time (%) = 0.0143428 (8.026)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1882 0 -2213.3374 -2213.3374 -3383.4038 3383.4038
1883 2.9909052e-16 -2213.3374 -2213.3374 -3383.4038 3383.4038
Loop time of 0.00212884 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33736001 -2213.33736001 -2213.33736001
Force two-norm initial, final = 0.00653489 0.00653489
Force max component initial, final = 0.000508704 0.000508704
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00190401 (89.4389)
Neigh time (%) = 0 (0)
Comm time (%) = 1.40667e-05 (0.660768)
Outpt time (%) = 0 (0)
Other time (%) = 0.000210762 (9.90032)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1750 0 -2211.2102 -2211.2102 -3399.6586 3399.6586
1760 3.1471918e-08 -2211.2102 -2211.2102 -3399.6612 3399.6612
1770 3.4505774e-07 -2211.2104 -2211.2104 -3399.6891 3399.6891
1780 1.6845319e-06 -2211.2112 -2211.2112 -3399.8103 3399.8103
1790 9.0455856e-06 -2211.2157 -2211.2157 -3400.4736 3400.4736
1800 3.5435482e-05 -2211.2319 -2211.2319 -3402.8684 3402.8684
1810 0.00016525649 -2211.311 -2211.311 -3414.48 3414.48
1820 0.00055580036 -2211.5497 -2211.5497 -3448.3894 3448.3894
1830 0.0015841508 -2212.1917 -2212.1917 -3517.4228 3517.4228
1840 0.0022288654 -2212.9593 -2212.9593 -3404.7363 3404.7363
1850 3.4488788e-05 -2213.183 -2213.183 -3349.5867 3349.5867
1860 0.00018824307 -2213.2895 -2213.2895 -3412.431 3412.431
1870 1.4052632e-05 -2213.3039 -2213.3039 -3395.2493 3395.2493
1880 1.4914447e-07 -2213.3304 -2213.3304 -3397.1143 3397.1143
1890 4.8850734e-06 -2213.3337 -2213.3337 -3374.4081 3374.4081
1900 7.9084605e-08 -2213.3351 -2213.3351 -3378.7939 3378.7939
1910 1.247808e-06 -2213.336 -2213.336 -3385.5849 3385.5849
1920 2.8527285e-07 -2213.3366 -2213.3366 -3385.3427 3385.3427
1930 6.0812862e-08 -2213.3369 -2213.3369 -3382.2186 3382.2186
1940 1.7327896e-07 -2213.337 -2213.337 -3384.2483 3384.2483
1950 4.7909857e-07 -2213.3372 -2213.3372 -3384.6403 3384.6403
Loop time of 0.199142 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2211.2101911 -2213.33718665 -2213.33722474
Force two-norm initial, final = 6.03639 0.061773
Force max component initial, final = 2.67231 0.00944236
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.180944 (90.862)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00161529 (0.811123)
Outpt time (%) = 0.00132561 (0.665659)
Other time (%) = 0.0152566 (7.66119)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14270 ave 14270 max 14270 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14270
Ave neighs/atom = 27.9256
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1950 0 -2213.3372 -2213.3372 -3384.6403 3384.6403
1960 3.2972435e-12 -2213.3372 -2213.3372 -3384.6403 3384.6403
1970 3.615023e-11 -2213.3372 -2213.3372 -3384.6401 3384.6401
1980 1.764659e-10 -2213.3372 -2213.3372 -3384.6391 3384.6391
1990 9.4712759e-10 -2213.3372 -2213.3372 -3384.6339 3384.6339
2000 3.7037212e-09 -2213.3372 -2213.3372 -3384.615 3384.615
2010 1.710576e-08 -2213.3372 -2213.3372 -3384.5198 3384.5198
2020 5.5176806e-08 -2213.3373 -2213.3373 -3384.2017 3384.2017
2030 8.7499108e-08 -2213.3373 -2213.3373 -3383.102 3383.102
2040 6.3357011e-08 -2213.3373 -2213.3373 -3383.4542 3383.4542
2050 1.6495896e-07 -2213.3373 -2213.3373 -3382.5577 3382.5577
2060 7.9809692e-06 -2213.3335 -2213.3335 -3381.8415 3381.8415
2070 0.0059119688 -2209.3708 -2209.3708 -2861.1567 2861.1567
2080 0.0017889387 -2212.4966 -2212.4966 -3326.8133 3326.8133
2090 0.00019956899 -2212.5983 -2212.5983 -3365.3662 3365.3662
2100 0.00064416643 -2212.9015 -2212.9015 -3445.5016 3445.5016
2110 0.0019108302 -2212.6175 -2212.6175 -3466.8038 3466.8038
2120 0.00085852519 -2212.444 -2212.444 -3468.5687 3468.5687
2130 0.00037993012 -2212.6689 -2212.6689 -3483.3141 3483.3141
2140 0.00076127922 -2212.9368 -2212.9368 -3410.6939 3410.6939
2150 0.00066177649 -2211.7504 -2211.7504 -3288.3773 3288.3773
Loop time of 0.200034 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2213.33722474 -2211.58731416 -2211.75036405
Force two-norm initial, final = 0.0617862 4.7723
Force max component initial, final = 0.00937869 1.73912
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.179081 (89.5254)
Neigh time (%) = 0.00328374 (1.64159)
Comm time (%) = 0.0017395 (0.869604)
Outpt time (%) = 0.00131607 (0.657924)
Other time (%) = 0.0146134 (7.30546)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14244 ave 14244 max 14244 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14244
Ave neighs/atom = 27.8748
Neighbor list builds = 5
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1800 0 -2211.1749 -2211.1749 -3411.4517 3411.4517
1810 3.1159984e-08 -2211.1749 -2211.1749 -3411.4543 3411.4543
1820 3.4163795e-07 -2211.1751 -2211.1751 -3411.4813 3411.4813
1830 1.6678422e-06 -2211.1759 -2211.1759 -3411.5989 3411.5989
1840 8.9561278e-06 -2211.1804 -2211.1804 -3412.2426 3412.2426
1850 3.5087263e-05 -2211.1964 -2211.1964 -3414.5667 3414.5667
1860 0.00016368804 -2211.2748 -2211.2748 -3425.8355 3425.8355
1870 0.00055117532 -2211.5117 -2211.5117 -3458.7507 3458.7507
1880 0.0015829027 -2212.1555 -2212.1555 -3526.153 3526.153
1890 0.0022642017 -2212.9393 -2212.9393 -3411.303 3411.303
1900 3.3443995e-05 -2213.1733 -2213.1733 -3354.1271 3354.1271
1910 0.00019185484 -2213.2815 -2213.2815 -3411.5015 3411.5015
1920 0.00014235555 -2213.299 -2213.299 -3405.5984 3405.5984
1930 6.1091431e-06 -2213.3226 -2213.3226 -3406.5588 3406.5588
1940 2.0940883e-05 -2213.3333 -2213.3333 -3378.7908 3378.7908
1950 2.2200858e-06 -2213.335 -2213.335 -3376.0625 3376.0625
1960 8.3955132e-07 -2213.3363 -2213.3363 -3388.132 3388.132
1970 1.3334422e-07 -2213.3365 -2213.3365 -3381.3756 3381.3756
1980 5.3646257e-07 -2213.3368 -2213.3368 -3384.4266 3384.4266
1990 8.5968723e-07 -2213.3372 -2213.3372 -3385.829 3385.829
2000 5.844129e-09 -2213.3373 -2213.3373 -3383.889 3383.889
Loop time of 0.200839 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2211.17491702 -2213.3372793 -2213.33728089
Force two-norm initial, final = 6.0064 0.0271014
Force max component initial, final = 2.6823 0.0028849
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.181012 (90.1281)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00172138 (0.857095)
Outpt time (%) = 0.00141191 (0.703008)
Other time (%) = 0.0166934 (8.31181)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14268 ave 14268 max 14268 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14268
Ave neighs/atom = 27.9217
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2000 0 -2213.3373 -2213.3373 -3383.889 3383.889
2010 6.3554141e-13 -2213.3373 -2213.3373 -3383.889 3383.889
2020 6.9679657e-12 -2213.3373 -2213.3373 -3383.8889 3383.8889
2030 3.4014096e-11 -2213.3373 -2213.3373 -3383.8886 3383.8886
2040 1.8257799e-10 -2213.3373 -2213.3373 -3383.8867 3383.8867
2050 7.1402183e-10 -2213.3373 -2213.3373 -3383.8798 3383.8798
2060 3.3033943e-09 -2213.3373 -2213.3373 -3383.8451 3383.8451
2070 1.0652189e-08 -2213.3373 -2213.3373 -3383.7304 3383.7304
2080 2.2854824e-08 -2213.3373 -2213.3373 -3383.3425 3383.3425
2090 4.6292952e-08 -2213.3373 -2213.3373 -3383.4445 3383.4445
2100 1.6671699e-07 -2213.3373 -2213.3373 -3383.3961 3383.3961
2110 7.7605885e-06 -2213.3329 -2213.3329 -3384.4908 3384.4908
2120 0.0052172721 -2211.9693 -2211.9693 -3324.9549 3324.9549
2130 0.013150478 -2207.8894 -2207.8894 -2351.7777 2351.7777
2140 0.025006218 -2200.1656 -2200.1656 3509.275 -3509.275
2150 0.065297983 -2188.8254 -2188.8254 7821.932 -7821.932
2160 0.059907339 -2182.2146 -2182.2146 11144.055 -11144.055
2170 0.23102597 -2139.2324 -2139.2324 22538.783 -22538.783
2180 0.49525674 -2116.0685 -2116.0685 28886.391 -28886.391
2190 0.62940519 -2136.0155 -2136.0155 28697.328 -28697.328
2200 0.56708565 -2137.157 -2137.157 29299.763 -29299.763
Loop time of 0.24141 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2213.33728089 -2137.31676047 -2137.15696881
Force two-norm initial, final = 0.0271261 25.1686
Force max component initial, final = 0.00282457 8.21318
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.209952 (86.9692)
Neigh time (%) = 0.013392 (5.5474)
Comm time (%) = 0.00221658 (0.91818)
Outpt time (%) = 0.00144863 (0.600071)
Other time (%) = 0.0144005 (5.96516)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1034 ave 1034 max 1034 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 13822 ave 13822 max 13822 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 13822
Ave neighs/atom = 27.0489
Neighbor list builds = 20
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1750 0 -2213.2883 -2213.2883 -3382.3726 3382.3726
1760 1.0250542e-10 -2213.2883 -2213.2883 -3382.3727 3382.3727
1770 1.1239025e-09 -2213.2883 -2213.2883 -3382.3733 3382.3733
1780 5.4875058e-09 -2213.2883 -2213.2883 -3382.3761 3382.3761
1790 2.9488813e-08 -2213.2883 -2213.2883 -3382.391 3382.391
1800 1.1583481e-07 -2213.2884 -2213.2884 -3382.4453 3382.4453
1810 5.4761912e-07 -2213.2886 -2213.2886 -3382.7172 3382.7172
1820 1.9255829e-06 -2213.2895 -2213.2895 -3383.6143 3383.6143
1830 6.6031397e-06 -2213.2925 -2213.2925 -3386.8479 3386.8479
1840 1.2528738e-05 -2213.298 -2213.298 -3388.1799 3388.1799
1850 4.6437376e-05 -2213.3178 -2213.3178 -3385.2228 3385.2228
1860 1.1511162e-06 -2213.3352 -2213.3352 -3384.0591 3384.0591
1870 5.2256956e-07 -2213.3358 -2213.3358 -3384.2902 3384.2902
1880 1.5117713e-06 -2213.3367 -2213.3367 -3383.9372 3383.9372
1890 7.3674478e-08 -2213.3372 -2213.3372 -3383.4417 3383.4417
1900 1.7053342e-08 -2213.3372 -2213.3372 -3383.4874 3383.4874
1910 1.2101115e-07 -2213.3373 -2213.3373 -3383.5077 3383.5077
1913 1.6106198e-07 -2213.3373 -2213.3373 -3383.4477 3383.4477
Loop time of 0.163834 on 1 procs for 163 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.28829889 -2213.33727969 -2213.33729325
Force two-norm initial, final = 0.3445 0.00986619
Force max component initial, final = 0.0373017 0.00075802
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 163 163
Pair time (%) = 0.149939 (91.5191)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00133562 (0.815229)
Outpt time (%) = 0.00105548 (0.644237)
Other time (%) = 0.0115035 (7.02142)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1913 0 -2213.3373 -2213.3373 -3383.4477 3383.4477
1920 4.9980121e-14 -2213.3373 -2213.3373 -3383.4477 3383.4477
1930 6.9019369e-13 -2213.3373 -2213.3373 -3383.4477 3383.4477
1940 4.1289162e-12 -2213.3373 -2213.3373 -3383.4477 3383.4477
1950 2.0871092e-11 -2213.3373 -2213.3373 -3383.4477 3383.4477
1960 9.1911997e-11 -2213.3373 -2213.3373 -3383.4476 3383.4476
1970 4.0745148e-10 -2213.3373 -2213.3373 -3383.4474 3383.4474
1980 1.6985653e-09 -2213.3373 -2213.3373 -3383.4463 3383.4463
1990 7.3121014e-09 -2213.3373 -2213.3373 -3383.4421 3383.4421
2000 2.9818771e-08 -2213.3373 -2213.3373 -3383.4336 3383.4336
2010 1.461947e-07 -2213.3372 -2213.3372 -3383.4278 3383.4278
2020 2.0753084e-09 -2213.3369 -2213.3369 -3383.4291 3383.4291
2030 2.8662801e-07 -2213.337 -2213.337 -3383.4203 3383.4203
2040 3.4305366e-10 -2213.3371 -2213.3371 -3383.3689 3383.3689
2050 5.2397492e-08 -2213.3371 -2213.3371 -3383.3642 3383.3642
2060 3.4244012e-07 -2213.337 -2213.337 -3383.3546 3383.3546
2070 8.0559004e-10 -2213.3369 -2213.3369 -3383.3998 3383.3998
2080 7.635885e-08 -2213.3369 -2213.3369 -3383.4276 3383.4276
2090 5.8918109e-07 -2213.3366 -2213.3366 -3383.477 3383.477
2100 7.4131071e-08 -2213.3346 -2213.3346 -3383.7014 3383.7014
2110 1.5412799e-07 -2213.335 -2213.335 -3383.6781 3383.6781
2113 2.3432111e-07 -2213.335 -2213.335 -3383.6926 3383.6926
Loop time of 0.200194 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2213.33729325 -2213.33499116 -2213.33497378
Force two-norm initial, final = 0.0118981 0.0658867
Force max component initial, final = 0.000940733 0.00568605
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.182612 (91.2176)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00159001 (0.794236)
Outpt time (%) = 0.00139475 (0.696698)
Other time (%) = 0.0145972 (7.29151)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1800 0 -2211.2073 -2211.2073 -3402.3071 3402.3071
1810 3.1420875e-08 -2211.2073 -2211.2073 -3402.3098 3402.3098
1820 3.444981e-07 -2211.2075 -2211.2075 -3402.3376 3402.3376
1830 1.6817997e-06 -2211.2083 -2211.2083 -3402.4589 3402.4589
1840 9.0309118e-06 -2211.2128 -2211.2128 -3403.1226 3403.1226
1850 3.5377933e-05 -2211.229 -2211.229 -3405.5191 3405.5191
1860 0.00016498671 -2211.3079 -2211.3079 -3417.1421 3417.1421
1870 0.00055483655 -2211.5463 -2211.5463 -3451.1365 3451.1365
1880 0.0015795673 -2212.187 -2212.187 -3521.9766 3521.9766
1890 0.0022365603 -2212.9578 -2212.9578 -3408.0357 3408.0357
1900 3.4010098e-05 -2213.1802 -2213.1802 -3351.9591 3351.9591
1910 0.00018978061 -2213.2872 -2213.2872 -3411.3351 3411.3351
1920 0.00013556925 -2213.2979 -2213.2979 -3411.2056 3411.2056
1930 5.7783098e-06 -2213.3232 -2213.3232 -3404.6778 3404.6778
1940 2.012819e-05 -2213.3336 -2213.3336 -3379.7849 3379.7849
1950 2.1691487e-06 -2213.3353 -2213.3353 -3376.1562 3376.1562
1960 7.7110257e-07 -2213.3364 -2213.3364 -3387.9018 3387.9018
1970 1.2323534e-07 -2213.3367 -2213.3367 -3381.4395 3381.4395
1980 4.5996755e-07 -2213.3369 -2213.3369 -3384.4947 3384.4947
1990 6.0554444e-07 -2213.3372 -2213.3372 -3386.9012 3386.9012
2000 1.2236253e-08 -2213.3373 -2213.3373 -3384.6583 3384.6583
Loop time of 0.197561 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2211.20730662 -2213.33730275 -2213.33730603
Force two-norm initial, final = 6.03149 0.0347296
Force max component initial, final = 2.68376 0.00472475
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.179916 (91.0686)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00162029 (0.820148)
Outpt time (%) = 0.00132704 (0.67171)
Other time (%) = 0.0146976 (7.4395)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14270 ave 14270 max 14270 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14270
Ave neighs/atom = 27.9256
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2000 0 -2213.3373 -2213.3373 -3384.6583 3384.6583
2010 1.0421313e-12 -2213.3373 -2213.3373 -3384.6583 3384.6583
2020 1.1425725e-11 -2213.3373 -2213.3373 -3384.6581 3384.6581
2030 5.5774981e-11 -2213.3373 -2213.3373 -3384.6572 3384.6572
2040 2.9937745e-10 -2213.3373 -2213.3373 -3384.6522 3384.6522
2050 1.171038e-09 -2213.3373 -2213.3373 -3384.6341 3384.6341
2060 5.4164328e-09 -2213.3373 -2213.3373 -3384.5433 3384.5433
2070 1.7587505e-08 -2213.3373 -2213.3373 -3384.2389 3384.2389
2080 3.280177e-08 -2213.3373 -2213.3373 -3383.1603 3383.1603
2089 3.6084164e-08 -2213.3373 -2213.3373 -3383.224 3383.224
Loop time of 0.088428 on 1 procs for 89 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33730603 -2213.3373398 -2213.33734207
Force two-norm initial, final = 0.0347358 0.00925315
Force max component initial, final = 0.00473262 0.0028707
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 89 89
Pair time (%) = 0.0801225 (90.6076)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000730991 (0.826651)
Outpt time (%) = 0.000532866 (0.602598)
Other time (%) = 0.00704169 (7.96319)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1850 0 -2211.1902 -2211.1902 -3405.358 3405.358
1860 3.1494742e-08 -2211.1902 -2211.1902 -3405.3607 3405.3607
1870 3.4530793e-07 -2211.1904 -2211.1904 -3405.3885 3405.3885
1880 1.6857518e-06 -2211.1912 -2211.1912 -3405.5098 3405.5098
1890 9.0521e-06 -2211.1957 -2211.1957 -3406.1734 3406.1734
1900 3.5460342e-05 -2211.2119 -2211.2119 -3408.5695 3408.5695
1910 0.00016535968 -2211.291 -2211.291 -3420.1901 3420.1901
1920 0.00055593745 -2211.5299 -2211.5299 -3454.1728 3454.1728
1930 0.0015822647 -2212.1722 -2212.1722 -3525.3264 3525.3264
1940 0.0022504758 -2212.9485 -2212.9485 -3410.595 3410.595
1950 3.3665146e-05 -2213.1755 -2213.1755 -3353.4648 3353.4648
1960 0.00019139456 -2213.2834 -2213.2834 -3411.2289 3411.2289
1970 0.00014040704 -2213.2986 -2213.2986 -3407.1973 3407.1973
1980 5.9190157e-06 -2213.3229 -2213.3229 -3405.9232 3405.9232
1990 2.0503584e-05 -2213.3334 -2213.3334 -3379.0724 3379.0724
2000 2.1924915e-06 -2213.3351 -2213.3351 -3376.148 3376.148
2010 7.9748123e-07 -2213.3363 -2213.3363 -3388.0124 3388.0124
2020 1.2871776e-07 -2213.3366 -2213.3366 -3381.4256 3381.4256
2030 5.0697718e-07 -2213.3369 -2213.3369 -3384.4847 3384.4847
2040 7.4790946e-07 -2213.3372 -2213.3372 -3386.5472 3386.5472
2050 5.8647383e-08 -2213.3373 -2213.3373 -3383.133 3383.133
Loop time of 0.195968 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2211.19015052 -2213.33728926 -2213.33729619
Force two-norm initial, final = 6.03858 0.0266437
Force max component initial, final = 2.70136 0.00346126
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.178126 (90.8956)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0015986 (0.815743)
Outpt time (%) = 0.00131869 (0.672912)
Other time (%) = 0.0149245 (7.61579)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14270 ave 14270 max 14270 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14270
Ave neighs/atom = 27.9256
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2050 0 -2213.3373 -2213.3373 -3383.133 3383.133
2060 6.1313504e-13 -2213.3373 -2213.3373 -3383.133 3383.133
2070 6.7223098e-12 -2213.3373 -2213.3373 -3383.1331 3383.1331
2080 3.2815451e-11 -2213.3373 -2213.3373 -3383.1333 3383.1333
2090 1.7615029e-10 -2213.3373 -2213.3373 -3383.1343 3383.1343
2100 6.8915612e-10 -2213.3373 -2213.3373 -3383.1383 3383.1383
2110 3.191195e-09 -2213.3373 -2213.3373 -3383.1579 3383.1579
2120 1.0402393e-08 -2213.3373 -2213.3373 -3383.2237 3383.2237
2130 2.158331e-08 -2213.3373 -2213.3373 -3383.4572 3383.4572
2139 3.3485778e-08 -2213.3373 -2213.3373 -3383.4578 3383.4578
Loop time of 0.0879021 on 1 procs for 89 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33729619 -2213.33732193 -2213.33732417
Force two-norm initial, final = 0.0266437 0.00921751
Force max component initial, final = 0.00346126 0.00100324
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 89 89
Pair time (%) = 0.0799096 (90.9075)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000760555 (0.86523)
Outpt time (%) = 0.000527143 (0.599694)
Other time (%) = 0.00670481 (7.62759)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1800 0 -2213.2915 -2213.2915 -3389.687 3389.687
1810 9.033457e-11 -2213.2915 -2213.2915 -3389.6869 3389.6869
1820 9.904702e-10 -2213.2915 -2213.2915 -3389.6864 3389.6864
1830 4.8363178e-09 -2213.2915 -2213.2915 -3389.6843 3389.6843
1840 2.5997945e-08 -2213.2915 -2213.2915 -3389.6724 3389.6724
1850 1.0225265e-07 -2213.2916 -2213.2916 -3389.6291 3389.6291
1860 4.8637087e-07 -2213.2918 -2213.2918 -3389.4136 3389.4136
1870 1.7498672e-06 -2213.2926 -2213.2926 -3388.7233 3388.7233
1880 6.632858e-06 -2213.2956 -2213.2956 -3386.6505 3386.6505
1890 1.5115595e-05 -2213.3021 -2213.3021 -3388.7725 3388.7725
1900 4.3816572e-05 -2213.321 -2213.321 -3385.8241 3385.8241
1910 5.9407449e-07 -2213.3351 -2213.3351 -3384.9614 3384.9614
1920 6.982103e-08 -2213.3367 -2213.3367 -3385.6267 3385.6267
1930 7.9211832e-07 -2213.3371 -2213.3371 -3382.8873 3382.8873
1940 2.1232953e-07 -2213.3372 -2213.3372 -3382.373 3382.373
1950 2.6760762e-08 -2213.3373 -2213.3373 -3384.1203 3384.1203
1960 1.161388e-07 -2213.3373 -2213.3373 -3382.8459 3382.8459
1970 2.6703335e-08 -2213.3374 -2213.3374 -3383.2905 3383.2905
1980 6.4681425e-08 -2213.3374 -2213.3374 -3383.6799 3383.6799
1987 2.5439799e-08 -2213.3374 -2213.3374 -3383.3573 3383.3573
Loop time of 0.185138 on 1 procs for 187 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29151205 -2213.33737562 -2213.33737682
Force two-norm initial, final = 0.323401 0.00558205
Force max component initial, final = 0.057225 0.000559947
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 187 187
Pair time (%) = 0.168504 (91.0154)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00152946 (0.826116)
Outpt time (%) = 0.00119805 (0.647114)
Other time (%) = 0.0139065 (7.51141)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1987 0 -2213.3374 -2213.3374 -3383.3573 3383.3573
1988 2.1822981e-16 -2213.3374 -2213.3374 -3383.3573 3383.3573
Loop time of 0.00211215 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737682 -2213.33737682 -2213.33737682
Force two-norm initial, final = 0.00558205 0.00558205
Force max component initial, final = 0.000559947 0.000559947
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00189686 (89.807)
Neigh time (%) = 0 (0)
Comm time (%) = 1.52588e-05 (0.722429)
Outpt time (%) = 0 (0)
Other time (%) = 0.000200033 (9.47059)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1850 0 -2211.2413 -2211.2413 -3403.2599 3403.2599
1860 3.0223219e-08 -2211.2413 -2211.2413 -3403.2625 3403.2625
1870 3.3136738e-07 -2211.2415 -2211.2415 -3403.2897 3403.2897
1880 1.6177044e-06 -2211.2423 -2211.2423 -3403.4085 3403.4085
1890 8.686965e-06 -2211.2466 -2211.2466 -3404.0582 3404.0582
1900 3.403359e-05 -2211.2622 -2211.2622 -3406.4047 3406.4047
1910 0.00015879138 -2211.3382 -2211.3382 -3417.8026 3417.8026
1920 0.00053465614 -2211.5682 -2211.5682 -3451.3226 3451.3226
1930 0.0015274443 -2212.1897 -2212.1897 -3523.6846 3523.6846
1940 0.0021769026 -2212.9451 -2212.9451 -3411.0624 3411.0624
1950 3.3353926e-05 -2213.1785 -2213.1785 -3351.8106 3351.8106
1960 0.00018129569 -2213.2817 -2213.2817 -3413.1277 3413.1277
1970 0.00014367383 -2213.3002 -2213.3002 -3407.5642 3407.5642
1980 6.2281903e-06 -2213.3235 -2213.3235 -3408.5155 3408.5155
1990 2.0096823e-05 -2213.3336 -2213.3336 -3378.0694 3378.0694
2000 2.0821156e-06 -2213.3351 -2213.3351 -3375.5356 3375.5356
2010 8.1472444e-07 -2213.3363 -2213.3363 -3388.4816 3388.4816
2020 1.2651243e-07 -2213.3366 -2213.3366 -3381.2392 3381.2392
2030 5.0084349e-07 -2213.3368 -2213.3368 -3384.4655 3384.4655
2040 8.4316076e-07 -2213.3372 -2213.3372 -3385.8409 3385.8409
2050 6.3900384e-09 -2213.3373 -2213.3373 -3384.0473 3384.0473
Loop time of 0.198935 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2211.24132706 -2213.33728496 -2213.33728669
Force two-norm initial, final = 5.91543 0.0282521
Force max component initial, final = 2.68841 0.00290346
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.181115 (91.0422)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00165486 (0.831861)
Outpt time (%) = 0.0013237 (0.665393)
Other time (%) = 0.0148416 (7.4605)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14270 ave 14270 max 14270 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14270
Ave neighs/atom = 27.9256
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2050 0 -2213.3373 -2213.3373 -3384.0473 3384.0473
2060 6.8939701e-13 -2213.3373 -2213.3373 -3384.0473 3384.0473
2070 7.5584033e-12 -2213.3373 -2213.3373 -3384.0472 3384.0472
2080 3.689577e-11 -2213.3373 -2213.3373 -3384.0467 3384.0467
2090 1.9802948e-10 -2213.3373 -2213.3373 -3384.0441 3384.0441
2100 7.7421798e-10 -2213.3373 -2213.3373 -3384.0347 3384.0347
2110 3.5760835e-09 -2213.3373 -2213.3373 -3383.9872 3383.9872
2120 1.1455004e-08 -2213.3373 -2213.3373 -3383.8301 3383.8301
2130 2.2765038e-08 -2213.3373 -2213.3373 -3383.295 3383.295
2140 4.3301784e-08 -2213.3373 -2213.3373 -3383.4222 3383.4222
2145 6.6768632e-08 -2213.3373 -2213.3373 -3383.5467 3383.5467
Loop time of 0.0939829 on 1 procs for 95 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33728669 -2213.33733437 -2213.33733945
Force two-norm initial, final = 0.0282521 0.00871213
Force max component initial, final = 0.00290346 0.00110242
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 95 95
Pair time (%) = 0.0858381 (91.3337)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000761747 (0.810517)
Outpt time (%) = 0.000602961 (0.641564)
Other time (%) = 0.00678015 (7.21423)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1900 0 -2211.2106 -2211.2106 -3412.0692 3412.0692
1910 3.0058481e-08 -2211.2106 -2211.2106 -3412.0718 3412.0718
1920 3.295613e-07 -2211.2108 -2211.2108 -3412.0986 3412.0986
1930 1.6088895e-06 -2211.2115 -2211.2115 -3412.2153 3412.2153
1940 8.6396959e-06 -2211.2158 -2211.2158 -3412.8537 3412.8537
1950 3.3849361e-05 -2211.2313 -2211.2313 -3415.1597 3415.1597
1960 0.00015795467 -2211.3069 -2211.3069 -3426.3606 3426.3606
1970 0.00053211469 -2211.5359 -2211.5359 -3459.3131 3459.3131
1980 0.0015251 -2212.1582 -2212.1582 -3531.3766 3531.3766
1990 0.0022079956 -2212.9261 -2212.9261 -3416.4932 3416.4932
2000 3.2280508e-05 -2213.1691 -2213.1691 -3355.9954 3355.9954
2010 0.0001843815 -2213.2737 -2213.2737 -3412.5119 3412.5119
2020 0.00015328644 -2213.3016 -2213.3016 -3399.8809 3399.8809
2030 6.2356464e-06 -2213.3231 -2213.3231 -3409.5054 3409.5054
2040 2.0303271e-05 -2213.3332 -2213.3332 -3377.1898 3377.1898
2050 2.1188122e-06 -2213.3348 -2213.3348 -3375.8209 3375.8209
2060 8.4384762e-07 -2213.3361 -2213.3361 -3388.5181 3388.5181
2070 1.3497258e-07 -2213.3364 -2213.3364 -3381.321 3381.321
2080 5.9452425e-07 -2213.3367 -2213.3367 -3384.4486 3384.4486
2090 1.1335813e-06 -2213.3372 -2213.3372 -3385.055 3385.055
2100 4.7995467e-09 -2213.3373 -2213.3373 -3383.7166 3383.7166
Loop time of 0.193761 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2211.21055719 -2213.33725609 -2213.33725718
Force two-norm initial, final = 5.89928 0.018358
Force max component initial, final = 2.67498 0.00208655
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.17604 (90.8542)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00161958 (0.835863)
Outpt time (%) = 0.00132489 (0.683776)
Other time (%) = 0.0147765 (7.62613)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14270 ave 14270 max 14270 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14270
Ave neighs/atom = 27.9256
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2100 0 -2213.3373 -2213.3373 -3383.7166 3383.7166
2110 2.9105932e-13 -2213.3373 -2213.3373 -3383.7166 3383.7166
2120 3.1912523e-12 -2213.3373 -2213.3373 -3383.7166 3383.7166
2130 1.5580877e-11 -2213.3373 -2213.3373 -3383.7163 3383.7163
2140 8.3716634e-11 -2213.3373 -2213.3373 -3383.7151 3383.7151
2150 3.2858904e-10 -2213.3373 -2213.3373 -3383.7107 3383.7107
2160 1.5493945e-09 -2213.3373 -2213.3373 -3383.6888 3383.6888
2170 5.3855428e-09 -2213.3373 -2213.3373 -3383.6175 3383.6175
2180 1.9009385e-08 -2213.3373 -2213.3373 -3383.381 3383.381
2190 5.2989226e-08 -2213.3373 -2213.3373 -3383.4142 3383.4142
2195 9.2438621e-08 -2213.3373 -2213.3373 -3383.4663 3383.4663
Loop time of 0.092854 on 1 procs for 95 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33725718 -2213.33731162 -2213.33731817
Force two-norm initial, final = 0.0183572 0.00958325
Force max component initial, final = 0.00209016 0.00134003
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 95 95
Pair time (%) = 0.0843129 (90.8016)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000767231 (0.826277)
Outpt time (%) = 0.000597239 (0.643202)
Other time (%) = 0.00717664 (7.72895)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1850 0 -2212.7581 -2212.7581 -3577.7416 3577.7416
1860 9.1029997e-10 -2212.7581 -2212.7581 -3577.7414 3577.7414
1870 9.9805579e-09 -2212.7581 -2212.7581 -3577.7389 3577.7389
1880 4.872437e-08 -2212.7581 -2212.7581 -3577.7278 3577.7278
1890 2.6166128e-07 -2212.7582 -2212.7582 -3577.6673 3577.6673
1900 1.0251561e-06 -2212.7587 -2212.7587 -3577.4464 3577.4464
1910 4.7849731e-06 -2212.761 -2212.761 -3576.3184 3576.3184
1920 1.5965132e-05 -2212.7679 -2212.7679 -3572.3078 3572.3078
1930 3.8453444e-05 -2212.7846 -2212.7846 -3553.2678 3553.2678
1940 4.0211571e-05 -2212.7989 -2212.7989 -3530.9426 3530.9426
1950 6.2645682e-05 -2212.8181 -2212.8181 -3511.2263 3511.2263
1960 9.3509873e-06 -2212.8246 -2212.8246 -3523.0991 3523.0991
1970 1.1395475e-06 -2212.826 -2212.826 -3525.4116 3525.4116
1980 2.0729436e-06 -2212.8267 -2212.8267 -3528.861 3528.861
1990 3.152268e-07 -2212.827 -2212.827 -3535.0612 3535.0612
2000 4.7615037e-08 -2212.8272 -2212.8272 -3536.0261 3536.0261
2010 1.4024671e-07 -2212.8272 -2212.8272 -3536.4686 3536.4686
2020 1.0567669e-08 -2212.8273 -2212.8273 -3536.9452 3536.9452
2029 3.2888529e-08 -2212.8273 -2212.8273 -3537.1469 3537.1469
Loop time of 0.178432 on 1 procs for 179 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.75805514 -2212.82726968 -2212.82727324
Force two-norm initial, final = 1.02662 0.00582821
Force max component initial, final = 0.263354 0.000714112
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 179 179
Pair time (%) = 0.163257 (91.4953)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00143981 (0.806924)
Outpt time (%) = 0.00112939 (0.632952)
Other time (%) = 0.0126059 (7.06482)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14244 ave 14244 max 14244 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14244
Ave neighs/atom = 27.8748
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2029 0 -2212.8273 -2212.8273 -3537.1469 3537.1469
2030 2.384252e-16 -2212.8273 -2212.8273 -3537.1469 3537.1469
Loop time of 0.00239897 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.82727324 -2212.82727324 -2212.82727324
Force two-norm initial, final = 0.00583463 0.00583463
Force max component initial, final = 0.00065167 0.00065167
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00217509 (90.6679)
Neigh time (%) = 0 (0)
Comm time (%) = 1.64509e-05 (0.685748)
Outpt time (%) = 0 (0)
Other time (%) = 0.000207424 (8.64639)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14250 ave 14250 max 14250 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14250
Ave neighs/atom = 27.8865
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1900 0 -2211.1957 -2211.1957 -3402.3901 3402.3901
1910 3.2188389e-08 -2211.1957 -2211.1957 -3402.3929 3402.3929
1920 3.5291284e-07 -2211.1959 -2211.1959 -3402.4218 3402.4218
1930 1.722874e-06 -2211.1967 -2211.1967 -3402.5478 3402.5478
1940 9.2513012e-06 -2211.2013 -2211.2013 -3403.237 3403.237
1950 3.6239062e-05 -2211.2179 -2211.2179 -3405.726 3405.726
1960 0.000168949 -2211.2987 -2211.2987 -3417.8023 3417.8023
1970 0.00056777532 -2211.5423 -2211.5423 -3453.2114 3453.2114
1980 0.0016128236 -2212.1929 -2212.1929 -3529.1531 3529.1531
1990 0.0022447101 -2212.967 -2212.967 -3407.4248 3407.4248
2000 3.3295271e-05 -2213.1858 -2213.1858 -3354.6467 3354.6467
2010 0.00018842806 -2213.292 -2213.292 -3409.5203 3409.5203
2020 1.7659601e-05 -2213.3129 -2213.3129 -3375.5475 3375.5475
2030 2.8649354e-05 -2213.3298 -2213.3298 -3370.0778 3370.0778
2040 4.3781071e-06 -2213.3323 -2213.3323 -3392.4998 3392.4998
2050 5.6628367e-06 -2213.3351 -2213.3351 -3380.0705 3380.0705
2060 1.3313692e-06 -2213.3369 -2213.3369 -3387.0949 3387.0949
2070 2.3723833e-07 -2213.337 -2213.337 -3381.0125 3381.0125
2080 8.8044766e-07 -2213.3372 -2213.3372 -3379.3107 3379.3107
2090 2.3205236e-08 -2213.3373 -2213.3373 -3384.4299 3384.4299
2100 7.5801066e-08 -2213.3373 -2213.3373 -3383.2098 3383.2098
Loop time of 0.197681 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2211.19565946 -2213.33730679 -2213.33731475
Force two-norm initial, final = 6.10472 0.0102361
Force max component initial, final = 2.84728 0.00180779
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.178943 (90.5211)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00169587 (0.857883)
Outpt time (%) = 0.00133491 (0.675283)
Other time (%) = 0.0157073 (7.94576)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14272 ave 14272 max 14272 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14272
Ave neighs/atom = 27.9295
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2100 0 -2213.3373 -2213.3373 -3383.2098 3383.2098
2110 9.1402109e-14 -2213.3373 -2213.3373 -3383.2098 3383.2098
2120 1.0021928e-12 -2213.3373 -2213.3373 -3383.2098 3383.2098
2130 4.8939481e-12 -2213.3373 -2213.3373 -3383.21 3383.21
2140 2.6319157e-11 -2213.3373 -2213.3373 -3383.2107 3383.2107
2150 1.0368346e-10 -2213.3373 -2213.3373 -3383.2135 3383.2135
2160 4.971885e-10 -2213.3373 -2213.3373 -3383.2272 3383.2272
2167 1.2412976e-09 -2213.3373 -2213.3373 -3383.2524 3383.2524
Loop time of 0.0667078 on 1 procs for 67 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33731475 -2213.33731541 -2213.33731549
Force two-norm initial, final = 0.0102871 0.00998654
Force max component initial, final = 0.00183918 0.00171881
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 67 67
Pair time (%) = 0.0603364 (90.4487)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000540018 (0.809527)
Outpt time (%) = 0.000402212 (0.602946)
Other time (%) = 0.00542927 (8.13887)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1950 0 -2211.1828 -2211.1828 -3402.0389 3402.0389
1960 3.2584557e-08 -2211.1828 -2211.1828 -3402.0417 3402.0417
1970 3.5725606e-07 -2211.183 -2211.183 -3402.0712 3402.0712
1980 1.7440681e-06 -2211.1839 -2211.1839 -3402.1998 3402.1998
1990 9.3648662e-06 -2211.1885 -2211.1885 -3402.9035 3402.9035
2000 3.6680026e-05 -2211.2053 -2211.2053 -3405.4442 3405.4442
2010 0.0001709215 -2211.2871 -2211.2871 -3417.7676 3417.7676
2020 0.00057322384 -2211.5331 -2211.5331 -3453.8662 3453.8662
2030 0.0016155713 -2212.1862 -2212.1862 -3532.0375 3532.0375
2040 0.0022617914 -2212.9629 -2212.9629 -3409.4176 3409.4176
2050 3.2892463e-05 -2213.1828 -2213.1828 -3357.2157 3357.2157
2060 0.00019201116 -2213.2901 -2213.2901 -3407.9276 3407.9276
2070 0.00012945775 -2213.3003 -2213.3003 -3404.8227 3404.8227
2080 5.3312467e-06 -2213.3235 -2213.3235 -3402.4035 3402.4035
2090 1.9857796e-05 -2213.3339 -2213.3339 -3380.5865 3380.5865
2100 2.0882717e-06 -2213.3354 -2213.3354 -3376.7898 3376.7898
2110 8.3747331e-07 -2213.3366 -2213.3366 -3387.5347 3387.5347
2120 1.298858e-07 -2213.3368 -2213.3368 -3381.5627 3381.5627
2130 4.3484634e-07 -2213.337 -2213.337 -3384.3766 3384.3766
2140 5.4357401e-07 -2213.3373 -2213.3373 -3386.5147 3386.5147
2150 1.5037297e-08 -2213.3373 -2213.3373 -3384.5156 3384.5156
Loop time of 0.194623 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2211.18281686 -2213.33731474 -2213.33731877
Force two-norm initial, final = 6.14217 0.0383172
Force max component initial, final = 2.8723 0.0047198
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.17627 (90.5699)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00160623 (0.825301)
Outpt time (%) = 0.00131941 (0.67793)
Other time (%) = 0.0154276 (7.92691)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14270 ave 14270 max 14270 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14270
Ave neighs/atom = 27.9256
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2150 0 -2213.3373 -2213.3373 -3384.5156 3384.5156
2160 1.268077e-12 -2213.3373 -2213.3373 -3384.5156 3384.5156
2170 1.3902852e-11 -2213.3373 -2213.3373 -3384.5154 3384.5154
2180 6.7864633e-11 -2213.3373 -2213.3373 -3384.5146 3384.5146
2190 3.6420354e-10 -2213.3373 -2213.3373 -3384.5102 3384.5102
2200 1.423496e-09 -2213.3373 -2213.3373 -3384.4943 3384.4943
2210 6.5603499e-09 -2213.3373 -2213.3373 -3384.4144 3384.4144
2220 2.0919409e-08 -2213.3373 -2213.3373 -3384.1463 3384.1463
2230 3.2265521e-08 -2213.3373 -2213.3373 -3383.1917 3383.1917
2239 3.3328274e-08 -2213.3374 -2213.3374 -3383.2407 3383.2407
Loop time of 0.0877039 on 1 procs for 89 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33731877 -2213.3373535 -2213.33735559
Force two-norm initial, final = 0.0383168 0.00830792
Force max component initial, final = 0.00472141 0.00250143
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 89 89
Pair time (%) = 0.0793819 (90.5113)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00072217 (0.823418)
Outpt time (%) = 0.000524044 (0.597515)
Other time (%) = 0.00707579 (8.06781)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2000 0 -2211.1515 -2211.1515 -3411.3121 3411.3121
2010 3.2324741e-08 -2211.1515 -2211.1515 -3411.3149 3411.3149
2020 3.5440769e-07 -2211.1517 -2211.1517 -3411.3436 3411.3436
2030 1.7301675e-06 -2211.1526 -2211.1526 -3411.4688 3411.4688
2040 9.2903774e-06 -2211.1572 -2211.1572 -3412.154 3412.154
2050 3.6390215e-05 -2211.1738 -2211.1738 -3414.628 3414.628
2060 0.00016962168 -2211.255 -2211.255 -3426.6284 3426.6284
2070 0.00056939292 -2211.4996 -2211.4996 -3461.7849 3461.7849
2080 0.0016148143 -2212.1545 -2212.1545 -3538.2143 3538.2143
2090 0.0022841291 -2212.9423 -2212.9423 -3415.3107 3415.3107
2100 3.2153885e-05 -2213.1739 -2213.1739 -3361.3238 3361.3238
2110 0.00019379167 -2213.2825 -2213.2825 -3406.9437 3406.9437
2120 0.00013851228 -2213.3017 -2213.3017 -3396.9963 3396.9963
2130 5.5822238e-06 -2213.3228 -2213.3228 -3403.1591 3403.1591
2140 2.0483389e-05 -2213.3335 -2213.3335 -3378.918 3378.918
2150 2.1492512e-06 -2213.3351 -2213.3351 -3377.5184 3377.5184
2160 8.7065461e-07 -2213.3364 -2213.3364 -3387.0652 3387.0652
2170 1.4382367e-07 -2213.3366 -2213.3366 -3381.7544 3381.7544
2180 5.0565848e-07 -2213.3369 -2213.3369 -3384.339 3384.339
2190 7.131839e-07 -2213.3372 -2213.3372 -3386.3857 3386.3857
2200 2.0015048e-08 -2213.3373 -2213.3373 -3384.417 3384.417
Loop time of 0.194431 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2211.15151379 -2213.33728474 -2213.3372901
Force two-norm initial, final = 6.11763 0.0441143
Force max component initial, final = 2.82204 0.00499624
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.176169 (90.6075)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00158906 (0.817287)
Outpt time (%) = 0.00132203 (0.679948)
Other time (%) = 0.0153508 (7.89525)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14272 ave 14272 max 14272 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14272
Ave neighs/atom = 27.9295
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2200 0 -2213.3373 -2213.3373 -3384.417 3384.417
2210 1.6808426e-12 -2213.3373 -2213.3373 -3384.417 3384.417
2220 1.8428292e-11 -2213.3373 -2213.3373 -3384.4168 3384.4168
2230 8.9954882e-11 -2213.3373 -2213.3373 -3384.4161 3384.4161
2240 4.8274871e-10 -2213.3373 -2213.3373 -3384.4121 3384.4121
2250 1.8868656e-09 -2213.3373 -2213.3373 -3384.3976 3384.3976
2260 8.694724e-09 -2213.3373 -2213.3373 -3384.3246 3384.3246
2270 2.7766233e-08 -2213.3373 -2213.3373 -3384.0792 3384.0792
2280 4.1843159e-08 -2213.3373 -2213.3373 -3383.1932 3383.1932
2290 4.6387714e-08 -2213.3373 -2213.3373 -3383.3667 3383.3667
2296 5.8150279e-08 -2213.3374 -2213.3374 -3383.6667 3383.6667
Loop time of 0.0933969 on 1 procs for 96 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3372901 -2213.33735158 -2213.33735685
Force two-norm initial, final = 0.0441143 0.00840237
Force max component initial, final = 0.00499624 0.00140068
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 96 96
Pair time (%) = 0.0850444 (91.057)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000775814 (0.830664)
Outpt time (%) = 0.000594854 (0.63691)
Other time (%) = 0.00698185 (7.47546)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2050 0 -2211.2138 -2211.2138 -3404.7166 3404.7166
2060 3.1592059e-08 -2211.2138 -2211.2138 -3404.7194 3404.7194
2070 3.4637482e-07 -2211.214 -2211.214 -3404.7479 3404.7479
2080 1.6909588e-06 -2211.2148 -2211.2148 -3404.8722 3404.8722
2090 9.0800115e-06 -2211.2193 -2211.2193 -3405.5525 3405.5525
2100 3.5569079e-05 -2211.2356 -2211.2356 -3408.009 3408.009
2110 0.00016584983 -2211.3149 -2211.3149 -3419.9305 3419.9305
2120 0.00055740232 -2211.5543 -2211.5543 -3454.8992 3454.8992
2130 0.001580225 -2212.1938 -2212.1938 -3530.6622 3530.6622
2140 0.002217678 -2212.9605 -2212.9605 -3413.1698 3413.1698
2150 3.3293749e-05 -2213.1855 -2213.1855 -3353.9454 3353.9454
2160 0.00018572333 -2213.2904 -2213.2904 -3409.6806 3409.6806
2170 0.00012995882 -2213.2992 -2213.2992 -3409.1134 3409.1134
2180 5.9430362e-06 -2213.3235 -2213.3235 -3403.2982 3403.2982
2190 1.2847988e-06 -2213.3288 -2213.3288 -3372.4834 3372.4834
2200 5.7780587e-06 -2213.332 -2213.332 -3391.0153 3391.0153
2210 9.3827692e-06 -2213.3366 -2213.3366 -3386.7712 3386.7712
2220 2.6712696e-08 -2213.3369 -2213.3369 -3382.6936 3382.6936
2230 3.2265295e-07 -2213.3371 -2213.3371 -3383.8604 3383.8604
2240 3.7688265e-07 -2213.3373 -2213.3373 -3383.9616 3383.9616
2250 2.5724425e-10 -2213.3373 -2213.3373 -3383.4758 3383.4758
Loop time of 0.194382 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2211.21379082 -2213.33732526 -2213.33732526
Force two-norm initial, final = 6.0479 0.0184086
Force max component initial, final = 2.83621 0.00230576
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.176021 (90.5544)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00164342 (0.845459)
Outpt time (%) = 0.00131798 (0.678035)
Other time (%) = 0.0153992 (7.92214)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14270 ave 14270 max 14270 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14270
Ave neighs/atom = 27.9256
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2250 0 -2213.3373 -2213.3373 -3383.4758 3383.4758
2260 3.0817239e-13 -2213.3373 -2213.3373 -3383.4758 3383.4758
2270 3.3788898e-12 -2213.3373 -2213.3373 -3383.4758 3383.4758
2280 1.6497685e-11 -2213.3373 -2213.3373 -3383.4758 3383.4758
2290 8.8651088e-11 -2213.3373 -2213.3373 -3383.4756 3383.4756
2300 3.4831322e-10 -2213.3373 -2213.3373 -3383.4748 3383.4748
2310 1.6459762e-09 -2213.3373 -2213.3373 -3383.4708 3383.4708
2320 5.8503797e-09 -2213.3373 -2213.3373 -3383.4577 3383.4577
2330 2.0663283e-08 -2213.3373 -2213.3373 -3383.4155 3383.4155
2340 4.9797547e-08 -2213.3373 -2213.3373 -3383.4593 3383.4593
2350 3.0847899e-07 -2213.3372 -2213.3372 -3383.3819 3383.3819
2360 2.6174838e-05 -2213.3224 -2213.3224 -3382.3001 3382.3001
2370 0.0057647236 -2212.311 -2212.311 -3305.1228 3305.1228
2380 0.015915974 -2208.477 -2208.477 -2265.2107 2265.2107
2390 0.032567628 -2198.573 -2198.573 4493.3849 -4493.3849
2400 0.06968849 -2189.0555 -2189.0555 7672.4066 -7672.4066
2410 0.069034203 -2178.7449 -2178.7449 11516.352 -11516.352
2420 0.27103119 -2131.5583 -2131.5583 25234.501 -25234.501
2430 0.53533154 -2118.0772 -2118.0772 28784.195 -28784.195
2440 0.64011807 -2136.1716 -2136.1716 29161.325 -29161.325
2450 0.56582242 -2136.6673 -2136.6673 29399.894 -29399.894
Loop time of 0.236382 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2213.33732526 -2136.85167371 -2136.66730382
Force two-norm initial, final = 0.0188891 24.3969
Force max component initial, final = 0.00238544 7.92386
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.204033 (86.3151)
Neigh time (%) = 0.0138628 (5.8646)
Comm time (%) = 0.00216842 (0.917336)
Outpt time (%) = 0.00135541 (0.573398)
Other time (%) = 0.014962 (6.32957)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1034 ave 1034 max 1034 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 13814 ave 13814 max 13814 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 13814
Ave neighs/atom = 27.0333
Neighbor list builds = 21
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
1950 0 -2213.2906 -2213.2906 -3390.0754 3390.0754
1960 3.651729e-10 -2213.2906 -2213.2906 -3390.0754 3390.0754
1970 4.0037477e-09 -2213.2906 -2213.2906 -3390.0754 3390.0754
1980 1.9545806e-08 -2213.2906 -2213.2906 -3390.0752 3390.0752
1990 1.0495491e-07 -2213.2906 -2213.2906 -3390.0743 3390.0743
2000 4.1113958e-07 -2213.2908 -2213.2908 -3390.0709 3390.0709
2010 1.9158282e-06 -2213.2917 -2213.2917 -3390.0476 3390.0476
2020 6.4003012e-06 -2213.2945 -2213.2945 -3389.8954 3389.8954
2030 1.5620479e-05 -2213.3005 -2213.3005 -3388.2297 3388.2297
2040 1.8208142e-05 -2213.308 -2213.308 -3386.632 3386.632
2050 3.1177788e-05 -2213.324 -2213.324 -3382.9207 3382.9207
2060 4.3863516e-06 -2213.3328 -2213.3328 -3383.2332 3383.2332
2070 7.3361772e-07 -2213.3333 -2213.3333 -3382.7952 3382.7952
2080 3.1582813e-06 -2213.3346 -2213.3346 -3383.0258 3383.0258
2090 7.0725071e-09 -2213.3369 -2213.3369 -3383.1756 3383.1756
2100 3.1673809e-08 -2213.337 -2213.337 -3383.204 3383.204
2110 2.9362402e-07 -2213.3372 -2213.3372 -3383.3038 3383.3038
2120 1.318248e-08 -2213.3373 -2213.3373 -3383.3765 3383.3765
2130 5.729238e-09 -2213.3373 -2213.3373 -3383.383 3383.383
2140 3.2658009e-08 -2213.3373 -2213.3373 -3383.3858 3383.3858
2147 7.906804e-08 -2213.3373 -2213.3373 -3383.3953 3383.3953
Loop time of 0.194966 on 1 procs for 197 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29056649 -2213.3373355 -2213.33734049
Force two-norm initial, final = 0.650227 0.00694553
Force max component initial, final = 0.0796246 0.000550358
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 197 197
Pair time (%) = 0.175868 (90.2044)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00161266 (0.827151)
Outpt time (%) = 0.00132537 (0.679795)
Other time (%) = 0.01616 (8.28863)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2147 0 -2213.3373 -2213.3373 -3383.3953 3383.3953
2148 3.3786058e-16 -2213.3373 -2213.3373 -3383.3953 3383.3953
Loop time of 0.00213385 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33734049 -2213.33734049 -2213.33734049
Force two-norm initial, final = 0.00694553 0.00694553
Force max component initial, final = 0.000550358 0.000550358
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00191092 (89.5531)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.748603)
Outpt time (%) = 0 (0)
Other time (%) = 0.000206947 (9.69832)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2000 0 -2213.2909 -2213.2909 -3389.7978 3389.7978
2010 3.2066786e-10 -2213.2909 -2213.2909 -3389.7978 3389.7978
2020 3.5159604e-09 -2213.2909 -2213.2909 -3389.7977 3389.7977
2030 1.7168596e-08 -2213.2909 -2213.2909 -3389.7972 3389.7972
2040 9.2300872e-08 -2213.291 -2213.291 -3389.7946 3389.7946
2050 3.6336204e-07 -2213.2911 -2213.2911 -3389.7853 3389.7853
2060 1.7311147e-06 -2213.292 -2213.292 -3389.7392 3389.7392
2070 6.2727929e-06 -2213.2946 -2213.2946 -3389.5972 3389.5972
2080 1.8547814e-05 -2213.3024 -2213.3024 -3388.9821 3388.9821
2090 2.13837e-05 -2213.3116 -2213.3116 -3387.6948 3387.6948
2100 4.2544604e-05 -2213.3315 -2213.3315 -3383.7238 3383.7238
2110 4.1347986e-06 -2213.3341 -2213.3341 -3381.5687 3381.5687
2120 6.6709458e-07 -2213.3348 -2213.3348 -3382.1498 3382.1498
2130 2.3359417e-06 -2213.336 -2213.336 -3382.7819 3382.7819
2140 7.5504139e-08 -2213.3369 -2213.3369 -3383.1542 3383.1542
2150 3.305474e-08 -2213.337 -2213.337 -3383.275 3383.275
2160 2.6240495e-07 -2213.3371 -2213.3371 -3383.2464 3383.2464
2170 1.769359e-09 -2213.3373 -2213.3373 -3383.4083 3383.4083
2180 1.922601e-09 -2213.3373 -2213.3373 -3383.4205 3383.4205
Loop time of 0.175266 on 1 procs for 180 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29091085 -2213.33733794 -2213.33733826
Force two-norm initial, final = 0.609316 0.00824906
Force max component initial, final = 0.0610932 0.000710472
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 180 180
Pair time (%) = 0.158335 (90.3399)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00147915 (0.843945)
Outpt time (%) = 0.00111341 (0.635271)
Other time (%) = 0.0143383 (8.18085)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2180 0 -2213.3373 -2213.3373 -3383.4205 3383.4205
2181 4.7657899e-16 -2213.3373 -2213.3373 -3383.4205 3383.4205
Loop time of 0.00207591 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33733826 -2213.33733826 -2213.33733826
Force two-norm initial, final = 0.00824906 0.00824906
Force max component initial, final = 0.000710472 0.000710472
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184822 (89.0318)
Neigh time (%) = 0 (0)
Comm time (%) = 1.50204e-05 (0.723556)
Outpt time (%) = 0 (0)
Other time (%) = 0.000212669 (10.2446)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2050 0 -2213.2901 -2213.2901 -3389.3146 3389.3146
2060 3.460926e-10 -2213.2901 -2213.2901 -3389.3146 3389.3146
2070 3.7947351e-09 -2213.2901 -2213.2901 -3389.3146 3389.3146
2080 1.8529979e-08 -2213.2902 -2213.2902 -3389.3144 3389.3144
2090 9.9623189e-08 -2213.2902 -2213.2902 -3389.3136 3389.3136
2100 3.9223446e-07 -2213.2904 -2213.2904 -3389.3107 3389.3107
2110 1.8696809e-06 -2213.2913 -2213.2913 -3389.2969 3389.2969
2120 6.7794474e-06 -2213.2941 -2213.2941 -3389.2643 3389.2643
2130 1.9732523e-05 -2213.3024 -2213.3024 -3389.0349 3389.0349
2140 2.0551364e-05 -2213.3112 -2213.3112 -3387.6796 3387.6796
2150 4.2145593e-05 -2213.3312 -2213.3312 -3384.0208 3384.0208
2160 4.4584066e-06 -2213.3344 -2213.3344 -3381.4464 3381.4464
2170 6.6757504e-07 -2213.335 -2213.335 -3382.131 3382.131
2180 2.0667569e-06 -2213.3361 -2213.3361 -3382.9055 3382.9055
2190 7.3315977e-08 -2213.337 -2213.337 -3383.1794 3383.1794
2200 2.5504737e-08 -2213.337 -2213.337 -3383.3151 3383.3151
2210 1.5187303e-07 -2213.3371 -2213.3371 -3383.3065 3383.3065
2220 3.8780381e-09 -2213.3373 -2213.3373 -3383.4232 3383.4232
2230 6.1863933e-09 -2213.3373 -2213.3373 -3383.4615 3383.4615
2240 2.67284e-08 -2213.3373 -2213.3373 -3383.419 3383.419
2243 4.519497e-08 -2213.3373 -2213.3373 -3383.4135 3383.4135
Loop time of 0.189391 on 1 procs for 193 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29014076 -2213.33731919 -2213.33732348
Force two-norm initial, final = 0.633011 0.00944827
Force max component initial, final = 0.0711637 0.000739614
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 193 193
Pair time (%) = 0.171698 (90.658)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0015645 (0.826071)
Outpt time (%) = 0.00125265 (0.66141)
Other time (%) = 0.0148757 (7.85447)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2243 0 -2213.3373 -2213.3373 -3383.4135 3383.4135
2244 6.3250958e-16 -2213.3373 -2213.3373 -3383.4135 3383.4135
Loop time of 0.00212622 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33732348 -2213.33732348 -2213.33732348
Force two-norm initial, final = 0.00950321 0.00950321
Force max component initial, final = 0.000796293 0.000796293
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00189972 (89.3474)
Neigh time (%) = 0 (0)
Comm time (%) = 1.57356e-05 (0.740076)
Outpt time (%) = 0 (0)
Other time (%) = 0.000210762 (9.91254)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2000 0 -2213.2785 -2213.2785 -3393.1909 3393.1909
2010 1.824878e-10 -2213.2785 -2213.2785 -3393.1909 3393.1909
2020 2.0008411e-09 -2213.2785 -2213.2785 -3393.1904 3393.1904
2030 9.7689717e-09 -2213.2785 -2213.2785 -3393.1885 3393.1885
2040 5.2488274e-08 -2213.2785 -2213.2785 -3393.1779 3393.1779
2050 2.060903e-07 -2213.2786 -2213.2786 -3393.1391 3393.1391
2060 9.7152356e-07 -2213.2791 -2213.2791 -3392.9418 3392.9418
2070 3.3942683e-06 -2213.2805 -2213.2805 -3392.2528 3392.2528
2080 1.1165186e-05 -2213.2852 -2213.2852 -3389.2669 3389.2669
2090 2.3898872e-05 -2213.2951 -2213.2951 -3387.6856 3387.6856
2100 6.1600129e-05 -2213.3236 -2213.3236 -3383.4076 3383.4076
2110 1.231791e-06 -2213.3359 -2213.3359 -3380.8529 3380.8529
2120 4.1335529e-07 -2213.337 -2213.337 -3383.3903 3383.3903
2130 4.2457758e-08 -2213.337 -2213.337 -3383.2675 3383.2675
2140 2.2244875e-07 -2213.3371 -2213.3371 -3383.3553 3383.3553
2150 3.7477531e-07 -2213.3373 -2213.3373 -3383.3954 3383.3954
2160 8.6401851e-10 -2213.3373 -2213.3373 -3383.3904 3383.3904
2170 2.0713192e-08 -2213.3373 -2213.3373 -3383.4082 3383.4082
2174 4.2374264e-08 -2213.3373 -2213.3373 -3383.4046 3383.4046
Loop time of 0.168255 on 1 procs for 174 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.27845984 -2213.33733672 -2213.3373405
Force two-norm initial, final = 0.459655 0.00967851
Force max component initial, final = 0.0415206 0.000900576
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 174 174
Pair time (%) = 0.152963 (90.9113)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00141072 (0.838443)
Outpt time (%) = 0.00111938 (0.665285)
Other time (%) = 0.0127621 (7.58495)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2174 0 -2213.3373 -2213.3373 -3383.4046 3383.4046
2175 5.8833361e-16 -2213.3373 -2213.3373 -3383.4046 3383.4046
Loop time of 0.00207496 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3373405 -2213.3373405 -2213.3373405
Force two-norm initial, final = 0.00916534 0.00916534
Force max component initial, final = 0.000823438 0.000823438
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185204 (89.2566)
Neigh time (%) = 0 (0)
Comm time (%) = 1.71661e-05 (0.827301)
Outpt time (%) = 0 (0)
Other time (%) = 0.000205755 (9.91612)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2050 0 -2213.2917 -2213.2917 -3394.4876 3394.4876
2060 1.7474194e-10 -2213.2917 -2213.2917 -3394.4876 3394.4876
2070 1.9159121e-09 -2213.2917 -2213.2917 -3394.4868 3394.4868
2080 9.3542556e-09 -2213.2917 -2213.2917 -3394.4836 3394.4836
2090 5.0258828e-08 -2213.2918 -2213.2918 -3394.4657 3394.4657
2100 1.9731035e-07 -2213.2919 -2213.2919 -3394.4008 3394.4008
2110 9.2968524e-07 -2213.2923 -2213.2923 -3394.0728 3394.0728
2120 3.2385544e-06 -2213.2937 -2213.2937 -3392.9571 3392.9571
2130 1.0503971e-05 -2213.2982 -2213.2982 -3388.5691 3388.5691
2140 2.0915586e-05 -2213.3068 -2213.3068 -3387.3528 3387.3528
2150 4.0721384e-05 -2213.3259 -2213.3259 -3383.3665 3383.3665
2160 2.2924418e-06 -2213.3338 -2213.3338 -3382.6432 3382.6432
2170 5.0935578e-07 -2213.3342 -2213.3342 -3382.7258 3382.7258
2180 2.40135e-06 -2213.3354 -2213.3354 -3382.9334 3382.9334
2190 1.144471e-08 -2213.3371 -2213.3371 -3384.0026 3384.0026
2200 2.6677816e-08 -2213.3372 -2213.3372 -3383.4475 3383.4475
2210 1.7126415e-07 -2213.3373 -2213.3373 -3383.3822 3383.3822
2220 1.5158237e-08 -2213.3374 -2213.3374 -3383.496 3383.496
2221 1.8077668e-08 -2213.3374 -2213.3374 -3383.4464 3383.4464
Loop time of 0.166323 on 1 procs for 171 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29174102 -2213.3373518 -2213.3373531
Force two-norm initial, final = 0.449794 0.00710741
Force max component initial, final = 0.0562533 0.000547492
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 171 171
Pair time (%) = 0.150525 (90.5018)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00136876 (0.822954)
Outpt time (%) = 0.00113058 (0.67975)
Other time (%) = 0.0132983 (7.99545)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2221 0 -2213.3374 -2213.3374 -3383.4464 3383.4464
2222 3.5379307e-16 -2213.3374 -2213.3374 -3383.4464 3383.4464
Loop time of 0.00206399 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3373531 -2213.3373531 -2213.3373531
Force two-norm initial, final = 0.00710741 0.00710741
Force max component initial, final = 0.000547492 0.000547492
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185108 (89.6846)
Neigh time (%) = 0 (0)
Comm time (%) = 1.52588e-05 (0.739286)
Outpt time (%) = 0 (0)
Other time (%) = 0.000197649 (9.57607)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2100 0 -2213.2912 -2213.2912 -3393.6683 3393.6683
2110 1.7876869e-10 -2213.2912 -2213.2912 -3393.6682 3393.6682
2120 1.9600654e-09 -2213.2912 -2213.2912 -3393.6676 3393.6676
2130 9.5698993e-09 -2213.2912 -2213.2912 -3393.665 3393.665
2140 5.1419437e-08 -2213.2912 -2213.2912 -3393.6507 3393.6507
2150 2.0189651e-07 -2213.2913 -2213.2913 -3393.5984 3393.5984
2160 9.5197559e-07 -2213.2917 -2213.2917 -3393.3343 3393.3343
2170 3.324579e-06 -2213.2932 -2213.2932 -3392.4297 3392.4297
2180 1.0885465e-05 -2213.2978 -2213.2978 -3388.7637 3388.7637
2190 2.1320267e-05 -2213.3066 -2213.3066 -3387.335 3387.335
2200 4.1402763e-05 -2213.3259 -2213.3259 -3383.4026 3383.4026
2210 2.1951565e-06 -2213.3339 -2213.3339 -3382.6956 3382.6956
2220 7.4475869e-07 -2213.3345 -2213.3345 -3382.75 3382.75
2230 2.0975945e-06 -2213.3355 -2213.3355 -3382.9567 3382.9567
2240 1.8199317e-07 -2213.3368 -2213.3368 -3382.7386 3382.7386
2250 5.7206685e-08 -2213.3369 -2213.3369 -3383.4149 3383.4149
2260 3.6222721e-07 -2213.3371 -2213.3371 -3383.3461 3383.3461
2270 5.5908564e-07 -2213.3373 -2213.3373 -3383.5981 3383.5981
2274 3.80495e-08 -2213.3373 -2213.3373 -3383.4198 3383.4198
Loop time of 0.172789 on 1 procs for 174 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29115939 -2213.33732842 -2213.33733322
Force two-norm initial, final = 0.454947 0.00993767
Force max component initial, final = 0.0602367 0.00110121
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 174 174
Pair time (%) = 0.156205 (90.4019)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00142288 (0.823479)
Outpt time (%) = 0.00114012 (0.659832)
Other time (%) = 0.0140214 (8.11475)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2274 0 -2213.3373 -2213.3373 -3383.4198 3383.4198
2280 2.7758269e-14 -2213.3373 -2213.3373 -3383.4198 3383.4198
2290 4.2694666e-13 -2213.3373 -2213.3373 -3383.4198 3383.4198
2300 2.769883e-12 -2213.3373 -2213.3373 -3383.4198 3383.4198
2310 1.3670549e-11 -2213.3373 -2213.3373 -3383.4197 3383.4197
2320 6.2665913e-11 -2213.3373 -2213.3373 -3383.4194 3383.4194
2330 2.6810108e-10 -2213.3373 -2213.3373 -3383.418 3383.418
2340 1.1361783e-09 -2213.3373 -2213.3373 -3383.4123 3383.4123
2342 1.46119e-09 -2213.3373 -2213.3373 -3383.4102 3383.4102
Loop time of 0.0679121 on 1 procs for 68 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33733322 -2213.33733379 -2213.33733387
Force two-norm initial, final = 0.0104926 0.00999115
Force max component initial, final = 0.00112799 0.00102114
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 68 68
Pair time (%) = 0.0613608 (90.3533)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000541449 (0.797279)
Outpt time (%) = 0.000460148 (0.677564)
Other time (%) = 0.00554967 (8.17184)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2050 0 -2213.2844 -2213.2844 -3387.3386 3387.3386
2060 9.3878468e-11 -2213.2844 -2213.2844 -3387.3386 3387.3386
2070 1.0293359e-09 -2213.2844 -2213.2844 -3387.3387 3387.3387
2080 5.026312e-09 -2213.2844 -2213.2844 -3387.3392 3387.3392
2090 2.7025171e-08 -2213.2844 -2213.2844 -3387.3415 3387.3415
2100 1.0638908e-07 -2213.2845 -2213.2845 -3387.3501 3387.3501
2110 5.0814473e-07 -2213.2847 -2213.2847 -3387.3921 3387.3921
2120 1.8591506e-06 -2213.2855 -2213.2855 -3387.5192 3387.5192
2130 7.6172543e-06 -2213.289 -2213.289 -3387.7802 3387.7802
2140 2.2551443e-05 -2213.2984 -2213.2984 -3386.6432 3386.6432
2150 6.5445278e-05 -2213.3262 -2213.3262 -3384.4524 3384.4524
2160 3.9849814e-07 -2213.3367 -2213.3367 -3383.6254 3383.6254
2170 7.9081604e-08 -2213.3369 -2213.3369 -3383.832 3383.832
2180 3.4266111e-07 -2213.337 -2213.337 -3383.7717 3383.7717
2190 5.385667e-09 -2213.3374 -2213.3374 -3383.6123 3383.6123
2200 1.1469665e-08 -2213.3374 -2213.3374 -3383.3136 3383.3136
2210 1.9623963e-09 -2213.3374 -2213.3374 -3383.4077 3383.4077
2211 2.4403601e-09 -2213.3374 -2213.3374 -3383.3976 3383.3976
Loop time of 0.161481 on 1 procs for 161 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.28441421 -2213.33737984 -2213.33738006
Force two-norm initial, final = 0.329684 0.00607163
Force max component initial, final = 0.0290021 0.000593323
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 161 161
Pair time (%) = 0.145187 (89.9098)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00138664 (0.858704)
Outpt time (%) = 0.00106454 (0.659235)
Other time (%) = 0.0138426 (8.57227)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2211 0 -2213.3374 -2213.3374 -3383.3976 3383.3976
2212 2.5818811e-16 -2213.3374 -2213.3374 -3383.3976 3383.3976
Loop time of 0.00207686 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33738006 -2213.33738006 -2213.33738006
Force two-norm initial, final = 0.00607163 0.00607163
Force max component initial, final = 0.000593323 0.000593323
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185013 (89.0828)
Neigh time (%) = 0 (0)
Comm time (%) = 1.81198e-05 (0.87246)
Outpt time (%) = 0 (0)
Other time (%) = 0.000208616 (10.0448)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2100 0 -2213.3114 -2213.3114 -3386.639 3386.639
2110 9.8846075e-11 -2213.3114 -2213.3114 -3386.639 3386.639
2120 1.08377e-09 -2213.3114 -2213.3114 -3386.639 3386.639
2130 5.2913372e-09 -2213.3115 -2213.3115 -3386.6391 3386.6391
2140 2.8428064e-08 -2213.3115 -2213.3115 -3386.6392 3386.6392
2150 1.1157494e-07 -2213.3115 -2213.3115 -3386.6398 3386.6398
2160 5.2520582e-07 -2213.3118 -2213.3118 -3386.6416 3386.6416
2170 1.8192449e-06 -2213.3126 -2213.3126 -3386.6321 3386.6321
2180 5.7986907e-06 -2213.3151 -2213.3151 -3386.3651 3386.3651
2190 1.2072984e-05 -2213.32 -2213.32 -3385.594 3385.594
2200 2.6754459e-05 -2213.3317 -2213.3317 -3383.6442 3383.6442
2210 6.4254822e-07 -2213.3369 -2213.3369 -3382.5076 3382.5076
2220 8.873024e-08 -2213.3371 -2213.3371 -3383.1022 3383.1022
2230 2.7449183e-07 -2213.3373 -2213.3373 -3383.2303 3383.2303
2240 6.5785719e-09 -2213.3374 -2213.3374 -3383.3927 3383.3927
2250 6.7833739e-09 -2213.3374 -2213.3374 -3383.4835 3383.4835
2259 1.6691116e-08 -2213.3374 -2213.3374 -3383.4165 3383.4165
Loop time of 0.157415 on 1 procs for 159 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.31144909 -2213.33738148 -2213.33738297
Force two-norm initial, final = 0.338295 0.00439504
Force max component initial, final = 0.0488133 0.000424987
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 159 159
Pair time (%) = 0.142182 (90.3229)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00138593 (0.880428)
Outpt time (%) = 0.00100446 (0.638095)
Other time (%) = 0.0128429 (8.15861)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2259 0 -2213.3374 -2213.3374 -3383.4165 3383.4165
2260 1.3528595e-16 -2213.3374 -2213.3374 -3383.4165 3383.4165
Loop time of 0.00220013 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33738297 -2213.33738297 -2213.33738297
Force two-norm initial, final = 0.00439504 0.00439504
Force max component initial, final = 0.000424987 0.000424987
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00198293 (90.1279)
Neigh time (%) = 0 (0)
Comm time (%) = 1.57356e-05 (0.715215)
Outpt time (%) = 0 (0)
Other time (%) = 0.000201464 (9.15691)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2150 0 -2213.3114 -2213.3114 -3384.5026 3384.5026
2160 1.0972457e-10 -2213.3114 -2213.3114 -3384.5026 3384.5026
2170 1.2030328e-09 -2213.3114 -2213.3114 -3384.503 3384.503
2180 5.8733654e-09 -2213.3114 -2213.3114 -3384.5047 3384.5047
2190 3.1547647e-08 -2213.3115 -2213.3115 -3384.514 3384.514
2200 1.237105e-07 -2213.3115 -2213.3115 -3384.5479 3384.5479
2210 5.7979069e-07 -2213.3118 -2213.3118 -3384.716 3384.716
2220 1.9771858e-06 -2213.3126 -2213.3126 -3385.2517 3385.2517
2230 5.8900337e-06 -2213.3152 -2213.3152 -3386.8229 3386.8229
2240 1.2507253e-05 -2213.3203 -2213.3203 -3385.8978 3385.8978
2250 2.5918202e-05 -2213.3318 -2213.3318 -3383.3426 3383.3426
2260 1.8884838e-06 -2213.3363 -2213.3363 -3382.9134 3382.9134
2270 2.8231445e-07 -2213.3364 -2213.3364 -3382.8024 3382.8024
2280 8.8818983e-07 -2213.3368 -2213.3368 -3382.9757 3382.9757
2290 1.1622235e-06 -2213.3372 -2213.3372 -3382.6888 3382.6888
2300 1.1533647e-08 -2213.3373 -2213.3373 -3383.504 3383.504
2310 7.9267255e-08 -2213.3374 -2213.3374 -3383.5166 3383.5166
2317 1.9206956e-09 -2213.3374 -2213.3374 -3383.3738 3383.3738
Loop time of 0.163387 on 1 procs for 167 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.31143773 -2213.33737163 -2213.33737201
Force two-norm initial, final = 0.356424 0.00583932
Force max component initial, final = 0.0387665 0.000487813
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 167 167
Pair time (%) = 0.148154 (90.6767)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00134397 (0.822567)
Outpt time (%) = 0.00105882 (0.648043)
Other time (%) = 0.0128303 (7.85269)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2317 0 -2213.3374 -2213.3374 -3383.3738 3383.3738
2318 2.3880939e-16 -2213.3374 -2213.3374 -3383.3738 3383.3738
Loop time of 0.00207615 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737201 -2213.33737201 -2213.33737201
Force two-norm initial, final = 0.00583932 0.00583932
Force max component initial, final = 0.000487813 0.000487813
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.0018518 (89.1938)
Neigh time (%) = 0 (0)
Comm time (%) = 1.69277e-05 (0.815342)
Outpt time (%) = 0 (0)
Other time (%) = 0.000207424 (9.99081)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2100 0 -2213.2911 -2213.2911 -3386.1544 3386.1544
2110 7.3831588e-11 -2213.2911 -2213.2911 -3386.1544 3386.1544
2120 8.0953052e-10 -2213.2911 -2213.2911 -3386.1545 3386.1545
2130 3.9529683e-09 -2213.2911 -2213.2911 -3386.1549 3386.1549
2140 2.1253812e-08 -2213.2912 -2213.2912 -3386.1571 3386.1571
2150 8.3659074e-08 -2213.2912 -2213.2912 -3386.165 3386.165
2160 3.9948484e-07 -2213.2914 -2213.2914 -3386.2042 3386.2042
2170 1.4588716e-06 -2213.292 -2213.292 -3386.3287 3386.3287
2180 6.0029447e-06 -2213.2948 -2213.2948 -3386.7007 3386.7007
2190 1.7980671e-05 -2213.3025 -2213.3025 -3386.2304 3386.2304
2200 5.4310512e-05 -2213.3249 -2213.3249 -3384.4849 3384.4849
2210 4.3750248e-07 -2213.3368 -2213.3368 -3383.273 3383.273
2220 1.7992773e-07 -2213.337 -2213.337 -3383.4872 3383.4872
2230 6.7888062e-07 -2213.3372 -2213.3372 -3383.524 3383.524
2240 2.1596709e-08 -2213.3372 -2213.3372 -3383.5471 3383.5471
2250 2.2191894e-08 -2213.3373 -2213.3373 -3383.5583 3383.5583
2260 1.2832042e-07 -2213.3373 -2213.3373 -3383.5494 3383.5494
2267 3.4543387e-09 -2213.3374 -2213.3374 -3383.5199 3383.5199
Loop time of 0.16148 on 1 procs for 167 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29114123 -2213.33736358 -2213.33736434
Force two-norm initial, final = 0.292372 0.00911361
Force max component initial, final = 0.0269889 0.000736877
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 167 167
Pair time (%) = 0.146557 (90.7588)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00135565 (0.839515)
Outpt time (%) = 0.00105166 (0.651266)
Other time (%) = 0.0125153 (7.75038)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2267 0 -2213.3374 -2213.3374 -3383.5199 3383.5199
2268 6.1142256e-16 -2213.3374 -2213.3374 -3383.5199 3383.5199
Loop time of 0.00207305 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33736434 -2213.33736434 -2213.33736434
Force two-norm initial, final = 0.00934346 0.00934346
Force max component initial, final = 0.000803747 0.000803747
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184703 (89.0972)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.770558)
Outpt time (%) = 0 (0)
Other time (%) = 0.000210047 (10.1323)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2150 0 -2213.3151 -2213.3151 -3383.8638 3383.8638
2160 4.3960528e-11 -2213.3151 -2213.3151 -3383.8638 3383.8638
2170 4.8200801e-10 -2213.3151 -2213.3151 -3383.8639 3383.8639
2180 2.3536638e-09 -2213.3151 -2213.3151 -3383.8644 3383.8644
2190 1.2655047e-08 -2213.3151 -2213.3151 -3383.8669 3383.8669
2200 4.9811956e-08 -2213.3151 -2213.3151 -3383.876 3383.876
2210 2.3790332e-07 -2213.3152 -2213.3152 -3383.9212 3383.9212
2220 8.6797118e-07 -2213.3156 -2213.3156 -3384.0668 3384.0668
2230 3.5478175e-06 -2213.3173 -2213.3173 -3384.5343 3384.5343
2240 1.025283e-05 -2213.3216 -2213.3216 -3384.2359 3384.2359
2250 2.7734399e-05 -2213.3332 -2213.3332 -3384.0896 3384.0896
2260 1.5194387e-07 -2213.337 -2213.337 -3383.7369 3383.7369
2270 1.9310456e-08 -2213.3372 -2213.3372 -3383.6285 3383.6285
2280 1.098617e-08 -2213.3372 -2213.3372 -3383.7059 3383.7059
2290 8.4398988e-08 -2213.3373 -2213.3373 -3383.5694 3383.5694
2300 1.9377577e-07 -2213.3374 -2213.3374 -3383.3857 3383.3857
2307 2.1471013e-08 -2213.3374 -2213.3374 -3383.3578 3383.3578
Loop time of 0.152832 on 1 procs for 157 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.31507142 -2213.33738291 -2213.33738516
Force two-norm initial, final = 0.225604 0.00405008
Force max component initial, final = 0.0177168 0.000335383
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 157 157
Pair time (%) = 0.138287 (90.483)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00126386 (0.826958)
Outpt time (%) = 0.000985622 (0.644906)
Other time (%) = 0.0122955 (8.0451)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2307 0 -2213.3374 -2213.3374 -3383.3578 3383.3578
2308 1.1488233e-16 -2213.3374 -2213.3374 -3383.3578 3383.3578
Loop time of 0.00214601 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33738516 -2213.33738516 -2213.33738516
Force two-norm initial, final = 0.00405008 0.00405008
Force max component initial, final = 0.000335383 0.000335383
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.0019331 (90.0789)
Neigh time (%) = 0 (0)
Comm time (%) = 1.40667e-05 (0.655483)
Outpt time (%) = 0 (0)
Other time (%) = 0.000198841 (9.26564)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2200 0 -2213.3127 -2213.3127 -3381.0479 3381.0479
2210 8.2981786e-11 -2213.3127 -2213.3127 -3381.048 3381.048
2220 9.0983593e-10 -2213.3127 -2213.3127 -3381.0486 3381.0486
2230 4.4422473e-09 -2213.3127 -2213.3127 -3381.0512 3381.0512
2240 2.386978e-08 -2213.3127 -2213.3127 -3381.0652 3381.0652
2250 9.3733391e-08 -2213.3127 -2213.3127 -3381.1163 3381.1163
2260 4.4243413e-07 -2213.3129 -2213.3129 -3381.3712 3381.3712
2270 1.546971e-06 -2213.3136 -2213.3136 -3382.1996 3382.1996
2280 5.1963351e-06 -2213.3159 -2213.3159 -3384.9227 3384.9227
2290 1.2047587e-05 -2213.3209 -2213.3209 -3384.348 3384.348
2300 2.7812234e-05 -2213.3329 -2213.3329 -3383.786 3383.786
2310 6.4273356e-07 -2213.3369 -2213.3369 -3383.8684 3383.8684
2320 1.0819724e-07 -2213.337 -2213.337 -3383.7437 3383.7437
2330 2.6238844e-07 -2213.3372 -2213.3372 -3383.7512 3383.7512
2340 4.6564453e-07 -2213.3373 -2213.3373 -3383.3777 3383.3777
2350 5.9216594e-09 -2213.3374 -2213.3374 -3383.3398 3383.3398
2357 1.8518435e-08 -2213.3374 -2213.3374 -3383.3695 3383.3695
Loop time of 0.154385 on 1 procs for 157 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.31267372 -2213.33737677 -2213.33737867
Force two-norm initial, final = 0.309961 0.00716295
Force max component initial, final = 0.0625706 0.000562822
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 157 157
Pair time (%) = 0.139282 (90.2174)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00126457 (0.819104)
Outpt time (%) = 0.00098753 (0.639655)
Other time (%) = 0.0128508 (8.32385)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2357 0 -2213.3374 -2213.3374 -3383.3695 3383.3695
2358 3.5934347e-16 -2213.3374 -2213.3374 -3383.3695 3383.3695
Loop time of 0.00209689 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737867 -2213.33737867 -2213.33737867
Force two-norm initial, final = 0.00716295 0.00716295
Force max component initial, final = 0.000562822 0.000562822
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185108 (88.2774)
Neigh time (%) = 0 (0)
Comm time (%) = 1.57356e-05 (0.750426)
Outpt time (%) = 0 (0)
Other time (%) = 0.000230074 (10.9721)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2150 0 -2213.2676 -2213.2676 -3389.2515 3389.2515
2160 1.4114021e-10 -2213.2676 -2213.2676 -3389.2515 3389.2515
2170 1.5475243e-09 -2213.2676 -2213.2676 -3389.2516 3389.2516
2180 7.5562785e-09 -2213.2676 -2213.2676 -3389.2519 3389.2519
2190 4.061766e-08 -2213.2676 -2213.2676 -3389.2536 3389.2536
2200 1.597317e-07 -2213.2677 -2213.2677 -3389.2598 3389.2598
2210 7.591669e-07 -2213.2681 -2213.2681 -3389.2907 3389.2907
2220 2.7224674e-06 -2213.2693 -2213.2693 -3389.3913 3389.3913
2230 9.9816491e-06 -2213.2737 -2213.2737 -3389.7388 3389.7388
2240 1.7838504e-05 -2213.2814 -2213.2814 -3389.8418 3389.8418
2250 6.3481314e-05 -2213.3095 -2213.3095 -3385.923 3385.923
2260 1.1945892e-06 -2213.3336 -2213.3336 -3383.6774 3383.6774
2270 5.0511045e-07 -2213.3347 -2213.3347 -3383.7287 3383.7287
2280 1.5897698e-06 -2213.3358 -2213.3358 -3383.6752 3383.6752
2290 3.9282561e-08 -2213.3366 -2213.3366 -3383.5415 3383.5415
2300 2.7420195e-07 -2213.3368 -2213.3368 -3383.529 3383.529
2310 3.842969e-08 -2213.337 -2213.337 -3383.4187 3383.4187
2320 1.2637995e-07 -2213.3371 -2213.3371 -3383.4096 3383.4096
2330 7.6229373e-10 -2213.3372 -2213.3372 -3383.4168 3383.4168
2334 3.9969517e-09 -2213.3372 -2213.3372 -3383.4134 3383.4134
Loop time of 0.178537 on 1 procs for 184 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.26760656 -2213.3371719 -2213.33717267
Force two-norm initial, final = 0.404241 0.00996929
Force max component initial, final = 0.0557971 0.000902703
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 184 184
Pair time (%) = 0.161681 (90.5589)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0015018 (0.841169)
Outpt time (%) = 0.00117898 (0.660356)
Other time (%) = 0.0141752 (7.93962)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2334 0 -2213.3372 -2213.3372 -3383.4134 3383.4134
2340 7.9415389e-14 -2213.3372 -2213.3372 -3383.4134 3383.4134
2350 1.2214883e-12 -2213.3372 -2213.3372 -3383.4134 3383.4134
2360 7.9249671e-12 -2213.3372 -2213.3372 -3383.4134 3383.4134
2370 3.9121875e-11 -2213.3372 -2213.3372 -3383.4134 3383.4134
2380 1.795131e-10 -2213.3372 -2213.3372 -3383.4133 3383.4133
2390 7.7126492e-10 -2213.3372 -2213.3372 -3383.4133 3383.4133
2400 3.3251425e-09 -2213.3372 -2213.3372 -3383.4131 3383.4131
2410 1.3922334e-08 -2213.3372 -2213.3372 -3383.4127 3383.4127
2420 5.9800438e-08 -2213.3372 -2213.3372 -3383.4168 3383.4168
2430 2.6950324e-07 -2213.3371 -2213.3371 -3383.4256 3383.4256
2440 1.6729927e-06 -2213.3363 -2213.3363 -3383.5291 3383.5291
2450 5.7378871e-07 -2213.3362 -2213.3362 -3383.5006 3383.5006
2460 4.0478259e-07 -2213.3367 -2213.3367 -3383.3812 3383.3812
2470 1.0449163e-07 -2213.3367 -2213.3367 -3383.4255 3383.4255
2480 4.4169558e-07 -2213.3367 -2213.3367 -3383.5067 3383.5067
2490 2.6697089e-07 -2213.3365 -2213.3365 -3383.5605 3383.5605
2500 1.446647e-07 -2213.3365 -2213.3365 -3383.4447 3383.4447
2510 8.1367713e-07 -2213.3362 -2213.3362 -3383.3504 3383.3504
2520 1.1151972e-08 -2213.3358 -2213.3358 -3383.4701 3383.4701
2530 3.5350497e-07 -2213.3357 -2213.3357 -3383.674 3383.674
2534 9.5063105e-07 -2213.3353 -2213.3353 -3383.5696 3383.5696
Loop time of 0.193662 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2213.33717267 -2213.33544921 -2213.33532729
Force two-norm initial, final = 0.0177475 0.0595529
Force max component initial, final = 0.0016626 0.00688675
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.174728 (90.2234)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00158739 (0.819671)
Outpt time (%) = 0.00137925 (0.712195)
Other time (%) = 0.0159669 (8.24472)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2200 0 -2213.3246 -2213.3246 -3382.2981 3382.2981
2210 6.3194393e-11 -2213.3246 -2213.3246 -3382.2981 3382.2981
2220 6.9287676e-10 -2213.3246 -2213.3246 -3382.2984 3382.2984
2230 3.3828429e-09 -2213.3246 -2213.3246 -3382.2997 3382.2997
2240 1.8174212e-08 -2213.3246 -2213.3246 -3382.3069 3382.3069
2250 7.1321133e-08 -2213.3246 -2213.3246 -3382.333 3382.333
2260 3.3560891e-07 -2213.3248 -2213.3248 -3382.4634 3382.4634
2270 1.1599313e-06 -2213.3253 -2213.3253 -3382.8899 3382.8899
2280 3.7393542e-06 -2213.327 -2213.327 -3384.3648 3384.3648
2290 7.9178309e-06 -2213.3302 -2213.3302 -3384.8025 3384.8025
2300 1.2218608e-05 -2213.3353 -2213.3353 -3383.2318 3383.2318
2310 7.252317e-07 -2213.337 -2213.337 -3382.9836 3382.9836
2320 1.5739686e-07 -2213.3372 -2213.3372 -3383.2143 3383.2143
2330 2.4181007e-07 -2213.3373 -2213.3373 -3383.24 3383.24
2340 4.1961648e-08 -2213.3373 -2213.3373 -3383.1839 3383.1839
2350 1.1280727e-08 -2213.3373 -2213.3373 -3383.229 3383.229
2360 4.3049188e-08 -2213.3374 -2213.3374 -3383.2913 3383.2913
2363 5.5096284e-08 -2213.3374 -2213.3374 -3383.3597 3383.3597
Loop time of 0.158804 on 1 procs for 163 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3245983 -2213.33737292 -2213.33737628
Force two-norm initial, final = 0.270492 0.00563105
Force max component initial, final = 0.0261 0.000501524
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 163 163
Pair time (%) = 0.143062 (90.0871)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00131345 (0.827088)
Outpt time (%) = 0.00105262 (0.662841)
Other time (%) = 0.013376 (8.42296)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2363 0 -2213.3374 -2213.3374 -3383.3597 3383.3597
2364 2.2207779e-16 -2213.3374 -2213.3374 -3383.3597 3383.3597
Loop time of 0.00207996 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737628 -2213.33737628 -2213.33737628
Force two-norm initial, final = 0.00563105 0.00563105
Force max component initial, final = 0.000501524 0.000501524
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184464 (88.6864)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.767996)
Outpt time (%) = 0 (0)
Other time (%) = 0.000219345 (10.5456)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2250 0 -2213.3232 -2213.3232 -3386.1307 3386.1307
2260 1.6348018e-10 -2213.3232 -2213.3232 -3386.1306 3386.1306
2270 1.7923965e-09 -2213.3232 -2213.3232 -3386.1302 3386.1302
2280 8.7502718e-09 -2213.3232 -2213.3232 -3386.1285 3386.1285
2290 4.6987876e-08 -2213.3232 -2213.3232 -3386.1187 3386.1187
2300 1.8406352e-07 -2213.3233 -2213.3233 -3386.0833 3386.0833
2310 8.5816904e-07 -2213.3237 -2213.3237 -3385.9047 3385.9047
2320 2.8611486e-06 -2213.3249 -2213.3249 -3385.3047 3385.3047
2330 7.0731523e-06 -2213.3279 -2213.3279 -3383.242 3383.242
2340 8.7004502e-06 -2213.3312 -2213.3312 -3385.2753 3385.2753
2350 1.0339899e-05 -2213.3353 -2213.3353 -3383.5426 3383.5426
2360 2.2741508e-06 -2213.3367 -2213.3367 -3382.9398 3382.9398
2370 2.7212495e-07 -2213.3369 -2213.3369 -3383.2332 3383.2332
2380 6.0727748e-07 -2213.3371 -2213.3371 -3383.3834 3383.3834
2390 8.2220246e-08 -2213.3373 -2213.3373 -3383.2167 3383.2167
2400 8.7460057e-09 -2213.3373 -2213.3373 -3383.4337 3383.4337
2410 4.7159775e-08 -2213.3373 -2213.3373 -3383.3972 3383.3972
2420 7.8740666e-08 -2213.3374 -2213.3374 -3383.5757 3383.5757
2430 9.0696212e-10 -2213.3374 -2213.3374 -3383.4408 3383.4408
Loop time of 0.175577 on 1 procs for 180 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.32316369 -2213.3373865 -2213.33738669
Force two-norm initial, final = 0.435059 0.00521104
Force max component initial, final = 0.0495839 0.000411504
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 180 180
Pair time (%) = 0.158155 (90.0773)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00145769 (0.830228)
Outpt time (%) = 0.00111961 (0.637676)
Other time (%) = 0.0148447 (8.45478)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2430 0 -2213.3374 -2213.3374 -3383.4408 3383.4408
2431 1.9018439e-16 -2213.3374 -2213.3374 -3383.4408 3383.4408
Loop time of 0.00207615 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33738669 -2213.33738669 -2213.33738669
Force two-norm initial, final = 0.00521104 0.00521104
Force max component initial, final = 0.000411504 0.000411504
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184894 (89.056)
Neigh time (%) = 0 (0)
Comm time (%) = 1.4782e-05 (0.711989)
Outpt time (%) = 0 (0)
Other time (%) = 0.000212431 (10.232)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2200 0 -2213.2622 -2213.2622 -3390.6318 3390.6318
2210 1.7557626e-10 -2213.2622 -2213.2622 -3390.6318 3390.6318
2220 1.9251035e-09 -2213.2622 -2213.2622 -3390.6318 3390.6318
2230 9.4000981e-09 -2213.2622 -2213.2622 -3390.6321 3390.6321
2240 5.0533485e-08 -2213.2622 -2213.2622 -3390.6336 3390.6336
2250 1.9880015e-07 -2213.2623 -2213.2623 -3390.6391 3390.6391
2260 9.4646322e-07 -2213.2628 -2213.2628 -3390.6661 3390.6661
2270 3.4162071e-06 -2213.2643 -2213.2643 -3390.7469 3390.7469
2280 1.2864036e-05 -2213.2699 -2213.2699 -3390.8814 3390.8814
2290 2.5044409e-05 -2213.2802 -2213.2802 -3389.8892 3389.8892
2300 7.4252649e-05 -2213.3136 -2213.3136 -3385.3831 3385.3831
2310 6.8045844e-07 -2213.3344 -2213.3344 -3382.7109 3382.7109
2320 2.3539354e-07 -2213.3353 -2213.3353 -3382.9277 3382.9277
2330 9.4494297e-07 -2213.3359 -2213.3359 -3383.0004 3383.0004
2340 1.6466153e-06 -2213.337 -2213.337 -3383.3569 3383.3569
2350 2.856673e-08 -2213.3371 -2213.3371 -3383.4785 3383.4785
2360 7.5890215e-09 -2213.3371 -2213.3371 -3383.4158 3383.4158
2370 3.9935124e-08 -2213.3372 -2213.3372 -3383.4757 3383.4757
2378 9.6896813e-08 -2213.3372 -2213.3372 -3383.4435 3383.4435
Loop time of 0.17282 on 1 procs for 178 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.26219973 -2213.33722105 -2213.33723122
Force two-norm initial, final = 0.450866 0.00943025
Force max component initial, final = 0.0607719 0.000856796
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 178 178
Pair time (%) = 0.156644 (90.64)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0014348 (0.830229)
Outpt time (%) = 0.00112176 (0.649091)
Other time (%) = 0.0136194 (7.88069)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2378 0 -2213.3372 -2213.3372 -3383.4435 3383.4435
2380 7.2749272e-15 -2213.3372 -2213.3372 -3383.4435 3383.4435
2390 3.8171173e-13 -2213.3372 -2213.3372 -3383.4435 3383.4435
2400 3.5801066e-12 -2213.3372 -2213.3372 -3383.4435 3383.4435
2410 1.654901e-11 -2213.3372 -2213.3372 -3383.4435 3383.4435
2420 8.8186298e-11 -2213.3372 -2213.3372 -3383.4437 3383.4437
2430 3.4150094e-10 -2213.3372 -2213.3372 -3383.4442 3383.4442
2440 1.6559902e-09 -2213.3372 -2213.3372 -3383.4468 3383.4468
2450 6.1837376e-09 -2213.3372 -2213.3372 -3383.4545 3383.4545
2460 2.8284241e-08 -2213.3372 -2213.3372 -3383.4705 3383.4705
2470 1.0523647e-07 -2213.3372 -2213.3372 -3383.4629 3383.4629
2480 6.3282115e-07 -2213.3369 -2213.3369 -3383.4887 3383.4887
2490 1.3837192e-07 -2213.3365 -2213.3365 -3383.3838 3383.3838
2500 1.6611128e-06 -2213.337 -2213.337 -3383.7721 3383.7721
2510 6.0441629e-07 -2213.3367 -2213.3367 -3384.1521 3384.1521
2520 1.0025056e-08 -2213.3371 -2213.3371 -3383.216 3383.216
2530 3.653276e-08 -2213.3371 -2213.3371 -3383.4596 3383.4596
2540 2.0544129e-07 -2213.337 -2213.337 -3383.5376 3383.5376
2550 5.5203451e-09 -2213.337 -2213.337 -3383.2934 3383.2934
2560 8.0287408e-08 -2213.337 -2213.337 -3383.431 3383.431
2570 4.5315592e-07 -2213.3368 -2213.3368 -3383.4005 3383.4005
2578 1.3525202e-07 -2213.3359 -2213.3359 -3383.3922 3383.3922
Loop time of 0.198219 on 1 procs for 200 steps with 511 atoms
Minimization stats:
Stopping criterion = max iterations
Energy initial, next-to-last, final =
-2213.33723122 -2213.3359111 -2213.33594886
Force two-norm initial, final = 0.0161147 0.0731073
Force max component initial, final = 0.00146062 0.00455653
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 200 200
Pair time (%) = 0.178993 (90.3008)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00184774 (0.932174)
Outpt time (%) = 0.00139332 (0.702919)
Other time (%) = 0.0159845 (8.06409)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2250 0 -2213.3227 -2213.3227 -3386.3184 3386.3184
2260 1.9449216e-10 -2213.3227 -2213.3227 -3386.3184 3386.3184
2270 2.132421e-09 -2213.3227 -2213.3227 -3386.3182 3386.3182
2280 1.041039e-08 -2213.3227 -2213.3227 -3386.3174 3386.3174
2290 5.590806e-08 -2213.3228 -2213.3228 -3386.313 3386.313
2300 2.1906846e-07 -2213.3229 -2213.3229 -3386.297 3386.297
2310 1.0231986e-06 -2213.3233 -2213.3233 -3386.2153 3386.2153
2320 3.4252619e-06 -2213.3248 -2213.3248 -3385.9275 3385.9275
2330 8.5545872e-06 -2213.3285 -2213.3285 -3384.7184 3384.7184
2340 5.2122274e-06 -2213.3305 -2213.3305 -3385.0647 3385.0647
2350 9.6390008e-06 -2213.3343 -2213.3343 -3383.2393 3383.2393
2360 1.317643e-06 -2213.3367 -2213.3367 -3381.8413 3381.8413
2370 2.1871348e-07 -2213.3372 -2213.3372 -3382.9938 3382.9938
2380 2.5433722e-07 -2213.3373 -2213.3373 -3383.2677 3383.2677
2390 3.9903952e-08 -2213.3373 -2213.3373 -3383.3029 3383.3029
2400 8.6505404e-09 -2213.3374 -2213.3374 -3383.3259 3383.3259
2410 2.8348834e-08 -2213.3374 -2213.3374 -3383.3548 3383.3548
2414 3.7212075e-08 -2213.3374 -2213.3374 -3383.375 3383.375
Loop time of 0.160108 on 1 procs for 164 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.32272122 -2213.33737159 -2213.33737486
Force two-norm initial, final = 0.474533 0.00582722
Force max component initial, final = 0.0642965 0.00060412
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 164 164
Pair time (%) = 0.143911 (89.8834)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00133014 (0.830775)
Outpt time (%) = 0.00104809 (0.654613)
Other time (%) = 0.0138192 (8.63118)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2414 0 -2213.3374 -2213.3374 -3383.375 3383.375
2415 2.378205e-16 -2213.3374 -2213.3374 -3383.375 3383.375
Loop time of 0.00207496 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737486 -2213.33737486 -2213.33737486
Force two-norm initial, final = 0.00582722 0.00582722
Force max component initial, final = 0.00060412 0.00060412
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184894 (89.1072)
Neigh time (%) = 0 (0)
Comm time (%) = 1.43051e-05 (0.689417)
Outpt time (%) = 0 (0)
Other time (%) = 0.000211716 (10.2034)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2300 0 -2213.3112 -2213.3112 -3388.7247 3388.7247
2310 1.4841884e-10 -2213.3112 -2213.3112 -3388.7246 3388.7246
2320 1.6273165e-09 -2213.3112 -2213.3112 -3388.7243 3388.7243
2330 7.9455339e-09 -2213.3112 -2213.3112 -3388.7229 3388.7229
2340 4.2700568e-08 -2213.3112 -2213.3112 -3388.715 3388.715
2350 1.6776615e-07 -2213.3113 -2213.3113 -3388.6865 3388.6865
2360 7.939829e-07 -2213.3116 -2213.3116 -3388.5434 3388.5434
2370 2.7966731e-06 -2213.3129 -2213.3129 -3388.0738 3388.0738
2380 9.345898e-06 -2213.317 -2213.317 -3386.4597 3386.4597
2390 1.2345955e-05 -2213.322 -2213.322 -3386.9217 3386.9217
2400 2.0342971e-05 -2213.331 -2213.331 -3384.0606 3384.0606
2410 7.9425857e-07 -2213.336 -2213.336 -3383.8302 3383.8302
2420 3.1279053e-07 -2213.3365 -2213.3365 -3382.1215 3382.1215
2430 7.2917132e-07 -2213.3369 -2213.3369 -3383.032 3383.032
2440 1.3244546e-07 -2213.3373 -2213.3373 -3384.3447 3384.3447
2450 3.4136396e-08 -2213.3373 -2213.3373 -3383.0521 3383.0521
2460 1.0179592e-07 -2213.3374 -2213.3374 -3383.2874 3383.2874
2470 6.5315893e-11 -2213.3374 -2213.3374 -3383.4757 3383.4757
2478 4.8461198e-09 -2213.3374 -2213.3374 -3383.3923 3383.3923
Loop time of 0.173743 on 1 procs for 178 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3111573 -2213.33736739 -2213.33736779
Force two-norm initial, final = 0.414534 0.00823404
Force max component initial, final = 0.0572001 0.000810427
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 178 178
Pair time (%) = 0.156784 (90.2392)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00142622 (0.820879)
Outpt time (%) = 0.0011127 (0.640428)
Other time (%) = 0.0144198 (8.2995)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2478 0 -2213.3374 -2213.3374 -3383.3923 3383.3923
2479 4.7484543e-16 -2213.3374 -2213.3374 -3383.3923 3383.3923
Loop time of 0.00208998 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33736779 -2213.33736779 -2213.33736779
Force two-norm initial, final = 0.00823404 0.00823404
Force max component initial, final = 0.000810427 0.000810427
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185275 (88.6493)
Neigh time (%) = 0 (0)
Comm time (%) = 1.50204e-05 (0.718686)
Outpt time (%) = 0 (0)
Other time (%) = 0.000222206 (10.632)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2250 0 -2213.2972 -2213.2972 -3390.057 3390.057
2260 1.3458787e-10 -2213.2972 -2213.2972 -3390.057 3390.057
2270 1.4756736e-09 -2213.2972 -2213.2972 -3390.057 3390.057
2280 7.2052902e-09 -2213.2972 -2213.2972 -3390.057 3390.057
2290 3.8726042e-08 -2213.2972 -2213.2972 -3390.0568 3390.0568
2300 1.5222926e-07 -2213.2973 -2213.2973 -3390.0563 3390.0563
2310 7.2185616e-07 -2213.2976 -2213.2976 -3390.0517 3390.0517
2320 2.572257e-06 -2213.2988 -2213.2988 -3390.0088 3390.0088
2330 9.2540434e-06 -2213.3028 -2213.3028 -3389.3501 3389.3501
2340 1.9146122e-05 -2213.3105 -2213.3105 -3386.1443 3386.1443
2350 4.236953e-05 -2213.3292 -2213.3292 -3384.6111 3384.6111
2360 5.5272296e-07 -2213.3358 -2213.3358 -3383.441 3383.441
2370 1.9406213e-06 -2213.3367 -2213.3367 -3385.2556 3385.2556
2380 1.4537906e-08 -2213.3371 -2213.3371 -3383.6235 3383.6235
2390 1.0634859e-07 -2213.3372 -2213.3372 -3383.1961 3383.1961
2400 4.6491602e-10 -2213.3373 -2213.3373 -3383.5052 3383.5052
2410 3.772971e-08 -2213.3373 -2213.3373 -3383.322 3383.322
2415 6.0046934e-08 -2213.3373 -2213.3373 -3383.4102 3383.4102
Loop time of 0.160708 on 1 procs for 165 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.29720275 -2213.3373291 -2213.33733399
Force two-norm initial, final = 0.394746 0.00900442
Force max component initial, final = 0.0477873 0.000741793
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 165 165
Pair time (%) = 0.145253 (90.3832)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00132442 (0.824113)
Outpt time (%) = 0.00104976 (0.653208)
Other time (%) = 0.0130808 (8.13951)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2415 0 -2213.3373 -2213.3373 -3383.4102 3383.4102
2416 6.2927619e-16 -2213.3373 -2213.3373 -3383.4102 3383.4102
Loop time of 0.00207782 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33733399 -2213.33733399 -2213.33733399
Force two-norm initial, final = 0.00947889 0.00947889
Force max component initial, final = 0.000882408 0.000882408
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185108 (89.0878)
Neigh time (%) = 0 (0)
Comm time (%) = 1.62125e-05 (0.780264)
Outpt time (%) = 0 (0)
Other time (%) = 0.000210524 (10.132)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2300 0 -2213.3262 -2213.3262 -3388.5424 3388.5424
2310 1.1459355e-10 -2213.3262 -2213.3262 -3388.5424 3388.5424
2320 1.2564098e-09 -2213.3262 -2213.3262 -3388.5419 3388.5419
2330 6.1337549e-09 -2213.3262 -2213.3262 -3388.54 3388.54
2340 3.2941254e-08 -2213.3262 -2213.3262 -3388.5296 3388.5296
2350 1.2908186e-07 -2213.3263 -2213.3263 -3388.4918 3388.4918
2360 6.030349e-07 -2213.3266 -2213.3266 -3388.3006 3388.3006
2370 2.0188522e-06 -2213.3274 -2213.3274 -3387.6523 3387.6523
2380 4.9898249e-06 -2213.3296 -2213.3296 -3385.1378 3385.1378
2390 5.1157526e-06 -2213.3315 -2213.3315 -3384.741 3384.741
2400 9.5793635e-06 -2213.3356 -2213.3356 -3383.7232 3383.7232
2410 9.5171272e-07 -2213.3363 -2213.3363 -3385.0439 3385.0439
2420 3.3892873e-07 -2213.3371 -2213.3371 -3382.8168 3382.8168
2430 2.8212475e-08 -2213.3371 -2213.3371 -3383.2647 3383.2647
2440 1.5487794e-07 -2213.3372 -2213.3372 -3382.9122 3382.9122
2450 2.7651938e-07 -2213.3374 -2213.3374 -3383.0969 3383.0969
2460 2.1612994e-10 -2213.3374 -2213.3374 -3383.4194 3383.4194
2463 8.1645801e-10 -2213.3374 -2213.3374 -3383.4324 3383.4324
Loop time of 0.159688 on 1 procs for 163 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.32618909 -2213.33737617 -2213.33737631
Force two-norm initial, final = 0.364247 0.00508033
Force max component initial, final = 0.042781 0.000503257
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 163 163
Pair time (%) = 0.144209 (90.307)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00132465 (0.829526)
Outpt time (%) = 0.00109053 (0.682911)
Other time (%) = 0.0130634 (8.1806)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2463 0 -2213.3374 -2213.3374 -3383.4324 3383.4324
2464 1.8076324e-16 -2213.3374 -2213.3374 -3383.4324 3383.4324
Loop time of 0.00207806 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737631 -2213.33737631 -2213.33737631
Force two-norm initial, final = 0.00508033 0.00508033
Force max component initial, final = 0.000503257 0.000503257
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.0018487 (88.9628)
Neigh time (%) = 0 (0)
Comm time (%) = 1.57356e-05 (0.757228)
Outpt time (%) = 0 (0)
Other time (%) = 0.000213623 (10.2799)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2350 0 -2213.3217 -2213.3217 -3387.0508 3387.0508
2360 9.2248534e-11 -2213.3217 -2213.3217 -3387.0508 3387.0508
2370 1.0114372e-09 -2213.3217 -2213.3217 -3387.0507 3387.0507
2380 4.9382367e-09 -2213.3217 -2213.3217 -3387.0504 3387.0504
2390 2.6533337e-08 -2213.3217 -2213.3217 -3387.0485 3387.0485
2400 1.041563e-07 -2213.3218 -2213.3218 -3387.0417 3387.0417
2410 4.9097853e-07 -2213.322 -2213.322 -3387.0068 3387.0068
2420 1.700495e-06 -2213.3228 -2213.3228 -3386.8785 3386.8785
2430 5.1917418e-06 -2213.3251 -2213.3251 -3386.1836 3386.1836
2440 5.9136162e-06 -2213.3275 -2213.3275 -3384.7727 3384.7727
2450 1.5067668e-05 -2213.3339 -2213.3339 -3384.0218 3384.0218
2460 5.170719e-07 -2213.337 -2213.337 -3383.1647 3383.1647
2470 1.1807098e-07 -2213.3371 -2213.3371 -3383.0262 3383.0262
2480 2.6677626e-07 -2213.3372 -2213.3372 -3383.1645 3383.1645
2490 2.9311492e-08 -2213.3373 -2213.3373 -3383.3213 3383.3213
2500 5.4207478e-09 -2213.3373 -2213.3373 -3383.335 3383.335
2510 4.0544455e-08 -2213.3374 -2213.3374 -3383.3492 3383.3492
2520 5.2703754e-08 -2213.3374 -2213.3374 -3383.4271 3383.4271
2521 5.4987389e-08 -2213.3374 -2213.3374 -3383.4127 3383.4127
Loop time of 0.167444 on 1 procs for 171 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.32170147 -2213.33738465 -2213.33738701
Force two-norm initial, final = 0.32681 0.00355563
Force max component initial, final = 0.0748899 0.000325977
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 171 171
Pair time (%) = 0.151167 (90.2791)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00141239 (0.843501)
Outpt time (%) = 0.00112247 (0.670358)
Other time (%) = 0.0137422 (8.20705)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2521 0 -2213.3374 -2213.3374 -3383.4127 3383.4127
2522 8.8544268e-17 -2213.3374 -2213.3374 -3383.4127 3383.4127
Loop time of 0.0020771 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33738701 -2213.33738701 -2213.33738701
Force two-norm initial, final = 0.00355563 0.00355563
Force max component initial, final = 0.000325977 0.000325977
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184798 (88.9692)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.769054)
Outpt time (%) = 0 (0)
Other time (%) = 0.000213146 (10.2617)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2300 0 -2213.317 -2213.317 -3387.4416 3387.4416
2310 1.3416778e-10 -2213.317 -2213.317 -3387.4416 3387.4416
2320 1.4710093e-09 -2213.317 -2213.317 -3387.4415 3387.4415
2330 7.1811625e-09 -2213.317 -2213.317 -3387.4412 3387.4412
2340 3.855799e-08 -2213.317 -2213.317 -3387.4395 3387.4395
2350 1.5098451e-07 -2213.3171 -2213.3171 -3387.4332 3387.4332
2360 7.0258459e-07 -2213.3174 -2213.3174 -3387.3997 3387.3997
2370 2.3262578e-06 -2213.3184 -2213.3184 -3387.2617 3387.2617
2380 5.4721393e-06 -2213.3207 -2213.3207 -3386.3687 3386.3687
2390 5.3851266e-06 -2213.3229 -2213.3229 -3385.0727 3385.0727
2400 1.4938753e-05 -2213.3305 -2213.3305 -3385.2021 3385.2021
2410 1.529108e-06 -2213.3351 -2213.3351 -3382.9092 3382.9092
2420 2.6731214e-07 -2213.3353 -2213.3353 -3383.4275 3383.4275
2430 9.3378266e-07 -2213.3357 -2213.3357 -3383.9308 3383.9308
2440 7.1509385e-09 -2213.3368 -2213.3368 -3383.7202 3383.7202
2450 5.7182224e-07 -2213.3371 -2213.3371 -3383.6995 3383.6995
2460 5.842727e-09 -2213.3371 -2213.3371 -3383.5506 3383.5506
2470 7.8252829e-08 -2213.3372 -2213.3372 -3383.554 3383.554
2480 3.1249013e-07 -2213.3373 -2213.3373 -3383.4678 3383.4678
2486 2.0804974e-09 -2213.3374 -2213.3374 -3383.3817 3383.3817
Loop time of 0.183218 on 1 procs for 186 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.31698797 -2213.33737227 -2213.33737279
Force two-norm initial, final = 0.39413 0.00721557
Force max component initial, final = 0.041311 0.000601206
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 186 186
Pair time (%) = 0.167056 (91.1787)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00152612 (0.832952)
Outpt time (%) = 0.00121427 (0.662744)
Other time (%) = 0.0134218 (7.32558)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2486 0 -2213.3374 -2213.3374 -3383.3817 3383.3817
2487 3.6464283e-16 -2213.3374 -2213.3374 -3383.3817 3383.3817
Loop time of 0.00212598 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737279 -2213.33737279 -2213.33737279
Force two-norm initial, final = 0.00721557 0.00721557
Force max component initial, final = 0.000601206 0.000601206
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00191689 (90.1649)
Neigh time (%) = 0 (0)
Comm time (%) = 1.57356e-05 (0.740159)
Outpt time (%) = 0 (0)
Other time (%) = 0.000193357 (9.09499)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2350 0 -2213.3187 -2213.3187 -3389.1399 3389.1399
2360 1.0338777e-10 -2213.3187 -2213.3187 -3389.1399 3389.1399
2370 1.1335668e-09 -2213.3187 -2213.3187 -3389.1397 3389.1397
2380 5.5344818e-09 -2213.3187 -2213.3187 -3389.1387 3389.1387
2390 2.973488e-08 -2213.3187 -2213.3187 -3389.1332 3389.1332
2400 1.1671239e-07 -2213.3188 -2213.3188 -3389.1133 3389.1133
2410 5.4955688e-07 -2213.319 -2213.319 -3389.0117 3389.0117
2420 1.9055207e-06 -2213.3199 -2213.3199 -3388.652 3388.652
2430 6.0451627e-06 -2213.3225 -2213.3225 -3386.977 3386.977
2440 1.1023526e-05 -2213.3269 -2213.3269 -3384.9647 3384.9647
2450 1.8866619e-05 -2213.3351 -2213.3351 -3383.8474 3383.8474
2460 7.7978065e-07 -2213.3362 -2213.3362 -3383.4672 3383.4672
2470 2.1560461e-07 -2213.3365 -2213.3365 -3382.9423 3382.9423
2480 7.3774023e-07 -2213.3369 -2213.3369 -3382.9327 3382.9327
2490 1.0238952e-08 -2213.3374 -2213.3374 -3383.5334 3383.5334
2500 7.9121808e-09 -2213.3374 -2213.3374 -3383.5102 3383.5102
2508 2.61307e-08 -2213.3374 -2213.3374 -3383.4485 3383.4485
Loop time of 0.154269 on 1 procs for 158 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.31870585 -2213.33737742 -2213.33737958
Force two-norm initial, final = 0.345979 0.00600779
Force max component initial, final = 0.0441688 0.000621229
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 158 158
Pair time (%) = 0.139204 (90.2346)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0012908 (0.836719)
Outpt time (%) = 0.000980139 (0.635344)
Other time (%) = 0.012794 (8.29332)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2508 0 -2213.3374 -2213.3374 -3383.4485 3383.4485
2509 2.5278756e-16 -2213.3374 -2213.3374 -3383.4485 3383.4485
Loop time of 0.00208092 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737958 -2213.33737958 -2213.33737958
Force two-norm initial, final = 0.00600779 0.00600779
Force max component initial, final = 0.000621229 0.000621229
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184989 (88.8978)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.767644)
Outpt time (%) = 0 (0)
Other time (%) = 0.000215054 (10.3346)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2400 0 -2213.3173 -2213.3173 -3388.0169 3388.0169
2410 8.0856983e-11 -2213.3173 -2213.3173 -3388.0169 3388.0169
2420 8.8653961e-10 -2213.3173 -2213.3173 -3388.0168 3388.0168
2430 4.3285402e-09 -2213.3173 -2213.3173 -3388.0164 3388.0164
2440 2.3259392e-08 -2213.3173 -2213.3173 -3388.0144 3388.0144
2450 9.135407e-08 -2213.3173 -2213.3173 -3388.0071 3388.0071
2460 4.3140809e-07 -2213.3176 -2213.3176 -3387.9692 3387.9692
2470 1.5125921e-06 -2213.3182 -2213.3182 -3387.8248 3387.8248
2480 4.9717422e-06 -2213.3204 -2213.3204 -3386.9725 3386.9725
2490 9.2052465e-06 -2213.3242 -2213.3242 -3384.9188 3384.9188
2500 2.0386783e-05 -2213.3332 -2213.3332 -3384.4347 3384.4347
2510 6.9307453e-07 -2213.3366 -2213.3366 -3384.0742 3384.0742
2520 1.8287983e-07 -2213.3368 -2213.3368 -3383.1009 3383.1009
2530 4.4748412e-07 -2213.3371 -2213.3371 -3382.8812 3382.8812
2540 3.784417e-08 -2213.3373 -2213.3373 -3383.3334 3383.3334
2550 1.3266818e-08 -2213.3373 -2213.3373 -3383.2675 3383.2675
2560 8.4333552e-08 -2213.3373 -2213.3373 -3383.2912 3383.2912
2564 9.3054571e-08 -2213.3374 -2213.3374 -3383.358 3383.358
Loop time of 0.160636 on 1 procs for 164 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.31729212 -2213.33736439 -2213.33736977
Force two-norm initial, final = 0.305967 0.00678066
Force max component initial, final = 0.0386335 0.000641058
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 164 164
Pair time (%) = 0.145033 (90.2864)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00134945 (0.840065)
Outpt time (%) = 0.00105786 (0.658546)
Other time (%) = 0.0131962 (8.21498)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2564 0 -2213.3374 -2213.3374 -3383.358 3383.358
2565 3.2201013e-16 -2213.3374 -2213.3374 -3383.358 3383.358
Loop time of 0.00207496 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33736977 -2213.33736977 -2213.33736977
Force two-norm initial, final = 0.00678066 0.00678066
Force max component initial, final = 0.000641058 0.000641058
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184798 (89.0612)
Neigh time (%) = 0 (0)
Comm time (%) = 1.69277e-05 (0.815811)
Outpt time (%) = 0 (0)
Other time (%) = 0.000210047 (10.1229)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2350 0 -2213.3226 -2213.3226 -3382.5774 3382.5774
2360 1.1127017e-10 -2213.3226 -2213.3226 -3382.5774 3382.5774
2370 1.2199624e-09 -2213.3226 -2213.3226 -3382.5776 3382.5776
2380 5.9556255e-09 -2213.3226 -2213.3226 -3382.5784 3382.5784
2390 3.1978542e-08 -2213.3226 -2213.3226 -3382.5827 3382.5827
2400 1.2522933e-07 -2213.3226 -2213.3226 -3382.5984 3382.5984
2410 5.8304088e-07 -2213.3229 -2213.3229 -3382.6765 3382.6765
2420 1.9337547e-06 -2213.3238 -2213.3238 -3382.9283 3382.9283
2430 4.8242876e-06 -2213.3258 -2213.3258 -3383.8162 3383.8162
2440 7.7516637e-06 -2213.3287 -2213.3287 -3384.7569 3384.7569
2450 1.1427322e-05 -2213.3344 -2213.3344 -3383.9559 3383.9559
2460 2.6520877e-08 -2213.3352 -2213.3352 -3383.41 3383.41
2470 5.3679194e-07 -2213.3355 -2213.3355 -3383.5605 3383.5605
2480 1.7254484e-06 -2213.3362 -2213.3362 -3383.532 3383.532
2490 4.4344709e-09 -2213.3365 -2213.3365 -3383.5163 3383.5163
2500 1.9076895e-07 -2213.3366 -2213.3366 -3383.5228 3383.5228
2510 9.9908914e-07 -2213.3371 -2213.3371 -3383.4422 3383.4422
2520 8.723287e-09 -2213.3374 -2213.3374 -3383.4229 3383.4229
2522 2.3927902e-08 -2213.3374 -2213.3374 -3383.4007 3383.4007
Loop time of 0.166645 on 1 procs for 172 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3225722 -2213.33736419 -2213.33736597
Force two-norm initial, final = 0.358926 0.00896467
Force max component initial, final = 0.03174 0.000840204
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 172 172
Pair time (%) = 0.150999 (90.6112)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00137758 (0.826657)
Outpt time (%) = 0.0011332 (0.68001)
Other time (%) = 0.0131352 (7.88214)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2522 0 -2213.3374 -2213.3374 -3383.4007 3383.4007
2523 5.6025163e-16 -2213.3374 -2213.3374 -3383.4007 3383.4007
Loop time of 0.00207901 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33736597 -2213.33736597 -2213.33736597
Force two-norm initial, final = 0.00894393 0.00894393
Force max component initial, final = 0.000902005 0.000902005
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185275 (89.117)
Neigh time (%) = 0 (0)
Comm time (%) = 1.57356e-05 (0.756881)
Outpt time (%) = 0 (0)
Other time (%) = 0.000210524 (10.1261)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2400 0 -2213.3232 -2213.3232 -3385.5243 3385.5243
2410 1.0051426e-10 -2213.3232 -2213.3232 -3385.5243 3385.5243
2420 1.1020271e-09 -2213.3232 -2213.3232 -3385.5242 3385.5242
2430 5.3797152e-09 -2213.3232 -2213.3232 -3385.5236 3385.5236
2440 2.8881108e-08 -2213.3232 -2213.3232 -3385.5206 3385.5206
2450 1.1302619e-07 -2213.3233 -2213.3233 -3385.5097 3385.5097
2460 5.2446001e-07 -2213.3235 -2213.3235 -3385.4535 3385.4535
2470 1.7171653e-06 -2213.3243 -2213.3243 -3385.252 3385.252
2480 3.8387435e-06 -2213.3259 -2213.3259 -3384.3869 3384.3869
2490 5.0720307e-06 -2213.3279 -2213.3279 -3384.5887 3384.5887
2500 1.0908565e-05 -2213.3329 -2213.3329 -3383.6054 3383.6054
2510 1.7485876e-06 -2213.3363 -2213.3363 -3383.3604 3383.3604
2520 3.6891483e-07 -2213.3365 -2213.3365 -3383.3704 3383.3704
2530 1.1033838e-06 -2213.3368 -2213.3368 -3383.3698 3383.3698
2540 7.1458935e-08 -2213.3371 -2213.3371 -3383.3976 3383.3976
2550 1.8216164e-08 -2213.3372 -2213.3372 -3383.4386 3383.4386
2560 1.4999024e-07 -2213.3372 -2213.3372 -3383.4036 3383.4036
2570 2.4383164e-07 -2213.3374 -2213.3374 -3383.4545 3383.4545
2571 2.4623376e-07 -2213.3374 -2213.3374 -3383.4303 3383.4303
Loop time of 0.166089 on 1 procs for 171 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3232189 -2213.33736524 -2213.33737761
Force two-norm initial, final = 0.341138 0.00590665
Force max component initial, final = 0.0310609 0.000757752
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 171 171
Pair time (%) = 0.150694 (90.7311)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00138664 (0.834879)
Outpt time (%) = 0.00113297 (0.682143)
Other time (%) = 0.0128751 (7.75191)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2571 0 -2213.3374 -2213.3374 -3383.4303 3383.4303
2572 2.4434808e-16 -2213.3374 -2213.3374 -3383.4303 3383.4303
Loop time of 0.00206184 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737761 -2213.33737761 -2213.33737761
Force two-norm initial, final = 0.00590665 0.00590665
Force max component initial, final = 0.000757752 0.000757752
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184774 (89.6161)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.774746)
Outpt time (%) = 0 (0)
Other time (%) = 0.000198126 (9.60916)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2450 0 -2213.3302 -2213.3302 -3385.3074 3385.3074
2460 8.391659e-11 -2213.3302 -2213.3302 -3385.3074 3385.3074
2470 9.2005339e-10 -2213.3302 -2213.3302 -3385.3071 3385.3071
2480 4.4914375e-09 -2213.3302 -2213.3302 -3385.3058 3385.3058
2490 2.4113454e-08 -2213.3302 -2213.3302 -3385.2989 3385.2989
2500 9.4394133e-08 -2213.3302 -2213.3302 -3385.2736 3385.2736
2510 4.3839981e-07 -2213.3304 -2213.3304 -3385.1458 3385.1458
2520 1.444251e-06 -2213.3311 -2213.3311 -3384.7107 3384.7107
2530 3.1980154e-06 -2213.3323 -2213.3323 -3383.1282 3383.1282
2540 3.4894466e-06 -2213.3336 -2213.3336 -3384.1752 3384.1752
2550 4.9143133e-06 -2213.3359 -2213.3359 -3382.5693 3382.5693
2560 1.0102387e-08 -2213.3366 -2213.3366 -3382.9187 3382.9187
2570 2.0745326e-07 -2213.3367 -2213.3367 -3383.5533 3383.5533
2580 5.3143643e-07 -2213.337 -2213.337 -3383.246 3383.246
2590 7.6188684e-08 -2213.3373 -2213.3373 -3383.3837 3383.3837
2600 2.5139254e-08 -2213.3373 -2213.3373 -3383.3894 3383.3894
2610 1.1209316e-07 -2213.3373 -2213.3373 -3383.4279 3383.4279
2620 8.5347701e-10 -2213.3373 -2213.3373 -3383.4172 3383.4172
2630 9.5006424e-09 -2213.3374 -2213.3374 -3383.3811 3383.3811
2633 1.6641542e-08 -2213.3374 -2213.3374 -3383.3921 3383.3921
Loop time of 0.180108 on 1 procs for 183 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33017571 -2213.33735673 -2213.33735833
Force two-norm initial, final = 0.311702 0.0060886
Force max component initial, final = 0.0264202 0.000360479
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 183 183
Pair time (%) = 0.162373 (90.1533)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00147152 (0.81702)
Outpt time (%) = 0.00119042 (0.66095)
Other time (%) = 0.0150728 (8.36877)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2633 0 -2213.3374 -2213.3374 -3383.3921 3383.3921
2634 2.596337e-16 -2213.3374 -2213.3374 -3383.3921 3383.3921
Loop time of 0.0020771 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33735833 -2213.33735833 -2213.33735833
Force two-norm initial, final = 0.0060886 0.0060886
Force max component initial, final = 0.000360479 0.000360479
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185108 (89.1185)
Neigh time (%) = 0 (0)
Comm time (%) = 1.38283e-05 (0.665748)
Outpt time (%) = 0 (0)
Other time (%) = 0.000212193 (10.2158)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2400 0 -2212.7714 -2212.7714 -3607.3473 3607.3473
2410 9.6033204e-10 -2212.7714 -2212.7714 -3607.3471 3607.3471
2420 1.0529106e-08 -2212.7714 -2212.7714 -3607.3446 3607.3446
2430 5.1402508e-08 -2212.7714 -2212.7714 -3607.3338 3607.3338
2440 2.7604252e-07 -2212.7716 -2212.7716 -3607.2746 3607.2746
2450 1.0816009e-06 -2212.7721 -2212.7721 -3607.0584 3607.0584
2460 5.0483776e-06 -2212.7745 -2212.7745 -3605.9528 3605.9528
2470 1.6883933e-05 -2212.7818 -2212.7818 -3601.9979 3601.9979
2480 3.9866398e-05 -2212.7982 -2212.7982 -3582.8234 3582.8234
2490 3.1307387e-05 -2212.8083 -2212.8083 -3562.8257 3562.8257
2500 2.9524293e-05 -2212.8182 -2212.8182 -3539.3306 3539.3306
2510 1.2046174e-05 -2212.8165 -2212.8165 -3523.6558 3523.6558
2520 3.2857755e-06 -2212.8267 -2212.8267 -3533.2571 3533.2571
2530 1.7792116e-07 -2212.8268 -2212.8268 -3532.6418 3532.6418
2540 8.8877984e-07 -2212.827 -2212.827 -3534.9921 3534.9921
2550 5.0147601e-09 -2212.8272 -2212.8272 -3537.9791 3537.9791
2560 5.6656388e-08 -2212.8272 -2212.8272 -3538.3216 3538.3216
2569 9.167328e-09 -2212.8273 -2212.8273 -3538.6072 3538.6072
Loop time of 0.168044 on 1 procs for 169 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.77140124 -2212.82725186 -2212.82725293
Force two-norm initial, final = 1.05445 0.00945437
Force max component initial, final = 0.227922 0.00112315
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 169 169
Pair time (%) = 0.15356 (91.3809)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0013597 (0.809134)
Outpt time (%) = 0.00104165 (0.619868)
Other time (%) = 0.0120826 (7.19012)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14246 ave 14246 max 14246 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14246
Ave neighs/atom = 27.8787
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2569 0 -2212.8273 -2212.8273 -3538.6072 3538.6072
2570 6.7870964e-16 -2212.8273 -2212.8273 -3538.6072 3538.6072
Loop time of 0.00228095 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.82725293 -2212.82725293 -2212.82725293
Force two-norm initial, final = 0.00984417 0.00984417
Force max component initial, final = 0.00166573 0.00166573
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.0020659 (90.5718)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.700324)
Outpt time (%) = 0 (0)
Other time (%) = 0.00019908 (8.72792)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14250 ave 14250 max 14250 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14250
Ave neighs/atom = 27.8865
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2450 0 -2213.3114 -2213.3114 -3378.6913 3378.6913
2460 1.5315418e-10 -2213.3114 -2213.3114 -3378.6914 3378.6914
2470 1.6792017e-09 -2213.3114 -2213.3114 -3378.6927 3378.6927
2480 8.1981529e-09 -2213.3114 -2213.3114 -3378.6981 3378.6981
2490 4.4036165e-08 -2213.3114 -2213.3114 -3378.7279 3378.7279
2500 1.7271428e-07 -2213.3115 -2213.3115 -3378.8363 3378.8363
2510 8.0991296e-07 -2213.3119 -2213.3119 -3379.3776 3379.3776
2520 2.7699878e-06 -2213.3131 -2213.3131 -3381.1433 3381.1433
2530 8.0586606e-06 -2213.3164 -2213.3164 -3386.9099 3386.9099
2540 1.2214245e-05 -2213.3213 -2213.3213 -3385.0601 3385.0601
2550 1.9717208e-05 -2213.3304 -2213.3304 -3384.2799 3384.2799
2560 2.1551443e-06 -2213.3351 -2213.3351 -3383.3684 3383.3684
2570 5.8953831e-07 -2213.3354 -2213.3354 -3383.1394 3383.1394
2580 2.0931361e-06 -2213.3362 -2213.3362 -3383.1344 3383.1344
2590 1.1480022e-08 -2213.3372 -2213.3372 -3383.1303 3383.1303
2600 2.2102748e-08 -2213.3372 -2213.3372 -3383.6604 3383.6604
2610 1.1700084e-07 -2213.3373 -2213.3373 -3383.628 3383.628
2620 1.0027893e-08 -2213.3373 -2213.3373 -3383.4232 3383.4232
Loop time of 0.165882 on 1 procs for 170 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.31138771 -2213.33734361 -2213.33734462
Force two-norm initial, final = 0.421095 0.00832061
Force max component initial, final = 0.0387123 0.000767029
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 170 170
Pair time (%) = 0.14991 (90.3715)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00137663 (0.829885)
Outpt time (%) = 0.00105238 (0.634415)
Other time (%) = 0.0135429 (8.16418)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2620 0 -2213.3373 -2213.3373 -3383.4232 3383.4232
2621 4.8488257e-16 -2213.3373 -2213.3373 -3383.4232 3383.4232
Loop time of 0.00206494 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33734462 -2213.33734462 -2213.33734462
Force two-norm initial, final = 0.00832061 0.00832061
Force max component initial, final = 0.000767029 0.000767029
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184703 (89.4469)
Neigh time (%) = 0 (0)
Comm time (%) = 1.38283e-05 (0.669669)
Outpt time (%) = 0 (0)
Other time (%) = 0.000204086 (9.88339)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2500 0 -2213.3254 -2213.3254 -3382.3818 3382.3818
2510 8.9979616e-11 -2213.3254 -2213.3254 -3382.3819 3382.3819
2520 9.8656004e-10 -2213.3254 -2213.3254 -3382.3822 3382.3822
2530 4.8167967e-09 -2213.3254 -2213.3254 -3382.3836 3382.3836
2540 2.5880942e-08 -2213.3254 -2213.3254 -3382.3916 3382.3916
2550 1.0160709e-07 -2213.3255 -2213.3255 -3382.4206 3382.4206
2560 4.7908849e-07 -2213.3257 -2213.3257 -3382.5647 3382.5647
2570 1.6673366e-06 -2213.3264 -2213.3264 -3383.0276 3383.0276
2580 5.4290057e-06 -2213.3288 -2213.3288 -3384.4598 3384.4598
2590 8.878804e-06 -2213.3321 -2213.3321 -3383.429 3383.429
2600 9.2484761e-06 -2213.3356 -2213.3356 -3383.6085 3383.6085
2610 8.3438884e-07 -2213.3363 -2213.3363 -3384.4902 3384.4902
2620 4.6729308e-07 -2213.3368 -2213.3368 -3383.5701 3383.5701
2630 9.9807834e-08 -2213.3368 -2213.3368 -3383.416 3383.416
2640 5.1110853e-07 -2213.3371 -2213.3371 -3383.6917 3383.6917
2650 2.1988681e-08 -2213.3373 -2213.3373 -3383.3593 3383.3593
2660 2.0854841e-09 -2213.3373 -2213.3373 -3383.4272 3383.4272
2670 2.6463545e-08 -2213.3373 -2213.3373 -3383.3882 3383.3882
2675 6.2122013e-08 -2213.3374 -2213.3374 -3383.384 3383.384
Loop time of 0.173265 on 1 procs for 175 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.32539585 -2213.33735552 -2213.33736313
Force two-norm initial, final = 0.322766 0.00607314
Force max component initial, final = 0.0460949 0.000434021
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 175 175
Pair time (%) = 0.157166 (90.7086)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00140738 (0.812273)
Outpt time (%) = 0.00113249 (0.653616)
Other time (%) = 0.0135589 (7.82551)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2675 0 -2213.3374 -2213.3374 -3383.384 3383.384
2676 2.5831658e-16 -2213.3374 -2213.3374 -3383.384 3383.384
Loop time of 0.0020659 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33736313 -2213.33736313 -2213.33736313
Force two-norm initial, final = 0.00607314 0.00607314
Force max component initial, final = 0.000434021 0.000434021
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185108 (89.6018)
Neigh time (%) = 0 (0)
Comm time (%) = 1.5974e-05 (0.773226)
Outpt time (%) = 0 (0)
Other time (%) = 0.000198841 (9.62493)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2550 0 -2213.3069 -2213.3069 -3386.202 3386.202
2560 1.0848126e-10 -2213.3069 -2213.3069 -3386.202 3386.202
2570 1.1894219e-09 -2213.3069 -2213.3069 -3386.2021 3386.2021
2580 5.8073888e-09 -2213.3069 -2213.3069 -3386.2024 3386.2024
2590 3.120691e-08 -2213.3069 -2213.3069 -3386.2044 3386.2044
2600 1.2257737e-07 -2213.3069 -2213.3069 -3386.2113 3386.2113
2610 5.792029e-07 -2213.3072 -2213.3072 -3386.2454 3386.2454
2620 2.0352721e-06 -2213.3081 -2213.3081 -3386.3471 3386.3471
2630 6.9246507e-06 -2213.3112 -2213.3112 -3386.55 3386.55
2640 1.2818022e-05 -2213.3164 -2213.3164 -3385.8915 3385.8915
2650 2.6729904e-05 -2213.3279 -2213.3279 -3384.5745 3384.5745
2660 1.3721608e-06 -2213.336 -2213.336 -3383.6439 3383.6439
2670 4.6926268e-07 -2213.3365 -2213.3365 -3383.2109 3383.2109
2680 1.0347359e-06 -2213.3371 -2213.3371 -3383.268 3383.268
2690 7.7037928e-08 -2213.3373 -2213.3373 -3383.4386 3383.4386
2700 1.1661678e-08 -2213.3373 -2213.3373 -3383.4125 3383.4125
2708 4.1267952e-08 -2213.3373 -2213.3373 -3383.3882 3383.3882
Loop time of 0.154695 on 1 procs for 158 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.30686778 -2213.33733695 -2213.33734057
Force two-norm initial, final = 0.354399 0.00766246
Force max component initial, final = 0.0722106 0.000598544
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 158 158
Pair time (%) = 0.140922 (91.0965)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00128055 (0.827789)
Outpt time (%) = 0.000995636 (0.643613)
Other time (%) = 0.011497 (7.43207)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2708 0 -2213.3373 -2213.3373 -3383.3882 3383.3882
2709 4.1120947e-16 -2213.3373 -2213.3373 -3383.3882 3383.3882
Loop time of 0.00211215 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33734057 -2213.33734057 -2213.33734057
Force two-norm initial, final = 0.00766246 0.00766246
Force max component initial, final = 0.000598544 0.000598544
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.0019002 (89.965)
Neigh time (%) = 0 (0)
Comm time (%) = 1.57356e-05 (0.745005)
Outpt time (%) = 0 (0)
Other time (%) = 0.000196218 (9.28999)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2600 0 -2213.3201 -2213.3201 -3380.661 3380.661
2610 1.7031787e-10 -2213.3201 -2213.3201 -3380.6611 3380.6611
2620 1.8673884e-09 -2213.3201 -2213.3201 -3380.6619 3380.6619
2630 9.1169136e-09 -2213.3201 -2213.3201 -3380.6654 3380.6654
2640 4.897212e-08 -2213.3202 -2213.3202 -3380.6848 3380.6848
2650 1.9206926e-07 -2213.3202 -2213.3202 -3380.7554 3380.7554
2660 9.0089806e-07 -2213.3207 -2213.3207 -3381.1068 3381.1068
2670 3.0766375e-06 -2213.322 -2213.322 -3382.2391 3382.2391
2680 8.9324697e-06 -2213.3258 -2213.3258 -3385.7338 3385.7338
2690 1.1210248e-05 -2213.3298 -2213.3298 -3383.1501 3383.1501
2700 1.1878648e-05 -2213.3347 -2213.3347 -3384.3032 3384.3032
2710 1.9543324e-06 -2213.3355 -2213.3355 -3387.0689 3387.0689
2720 7.6620131e-07 -2213.3372 -2213.3372 -3382.9503 3382.9503
2730 5.3051478e-08 -2213.3372 -2213.3372 -3383.7861 3383.7861
2740 1.4935646e-07 -2213.3373 -2213.3373 -3383.1533 3383.1533
2750 1.8195687e-09 -2213.3374 -2213.3374 -3383.3603 3383.3603
2760 7.0992165e-10 -2213.3374 -2213.3374 -3383.4263 3383.4263
2764 2.3408828e-09 -2213.3374 -2213.3374 -3383.4172 3383.4172
Loop time of 0.159871 on 1 procs for 164 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.32012937 -2213.33737598 -2213.33737622
Force two-norm initial, final = 0.444064 0.0060289
Force max component initial, final = 0.0755134 0.000626694
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 164 164
Pair time (%) = 0.144372 (90.3054)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00131822 (0.824549)
Outpt time (%) = 0.0010488 (0.656031)
Other time (%) = 0.0131319 (8.21403)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2764 0 -2213.3374 -2213.3374 -3383.4172 3383.4172
2765 2.5456741e-16 -2213.3374 -2213.3374 -3383.4172 3383.4172
Loop time of 0.00206208 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737622 -2213.33737622 -2213.33737622
Force two-norm initial, final = 0.0060289 0.0060289
Force max component initial, final = 0.000626694 0.000626694
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184917 (89.6751)
Neigh time (%) = 0 (0)
Comm time (%) = 1.4782e-05 (0.716846)
Outpt time (%) = 0 (0)
Other time (%) = 0.000198126 (9.60805)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2500 0 -2213.2701 -2213.2701 -3383.5935 3383.5935
2510 2.3032266e-10 -2213.2701 -2213.2701 -3383.5936 3383.5936
2520 2.5252892e-09 -2213.2701 -2213.2701 -3383.5947 3383.5947
2530 1.2328926e-08 -2213.2701 -2213.2701 -3383.5997 3383.5997
2540 6.6225909e-08 -2213.2701 -2213.2701 -3383.6271 3383.6271
2550 2.5975423e-07 -2213.2702 -2213.2702 -3383.7263 3383.7263
2560 1.2185776e-06 -2213.2708 -2213.2708 -3384.2207 3384.2207
2570 4.1726366e-06 -2213.2726 -2213.2726 -3385.8141 3385.8141
2580 1.2561366e-05 -2213.2779 -2213.2779 -3390.7486 3390.7486
2590 2.4964634e-05 -2213.2881 -2213.2881 -3388.5951 3388.5951
2600 6.6154018e-05 -2213.3186 -2213.3186 -3384.5965 3384.5965
2610 2.6185741e-06 -2213.3347 -2213.3347 -3379.2628 3379.2628
2620 1.4005486e-06 -2213.3368 -2213.3368 -3383.3517 3383.3517
2630 9.6983368e-08 -2213.3369 -2213.3369 -3382.9381 3382.9381
2640 6.0639304e-07 -2213.3371 -2213.3371 -3383.1406 3383.1406
2650 8.1201433e-07 -2213.3373 -2213.3373 -3383.5552 3383.5552
2660 2.3855167e-09 -2213.3373 -2213.3373 -3383.602 3383.602
2670 2.6579668e-08 -2213.3373 -2213.3373 -3383.4836 3383.4836
2672 3.632196e-08 -2213.3373 -2213.3373 -3383.481 3383.481
Loop time of 0.168499 on 1 procs for 172 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.27005649 -2213.33733712 -2213.33734005
Force two-norm initial, final = 0.516397 0.00970077
Force max component initial, final = 0.0654447 0.000833441
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 172 172
Pair time (%) = 0.152679 (90.6115)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00141287 (0.838503)
Outpt time (%) = 0.00112224 (0.66602)
Other time (%) = 0.0132844 (7.88399)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2672 0 -2213.3373 -2213.3373 -3383.481 3383.481
2680 4.8398631e-14 -2213.3373 -2213.3373 -3383.481 3383.481
2690 6.1086077e-13 -2213.3373 -2213.3373 -3383.481 3383.481
2700 3.3937263e-12 -2213.3373 -2213.3373 -3383.481 3383.481
2710 1.7538502e-11 -2213.3373 -2213.3373 -3383.4811 3383.4811
2713 2.9261426e-11 -2213.3373 -2213.3373 -3383.4811 3383.4811
Loop time of 0.040801 on 1 procs for 41 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33734005 -2213.33734006 -2213.33734007
Force two-norm initial, final = 0.0100035 0.00999939
Force max component initial, final = 0.000782275 0.000782053
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 41 41
Pair time (%) = 0.0367696 (90.1193)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000338554 (0.829769)
Outpt time (%) = 0.000263929 (0.646869)
Other time (%) = 0.00342894 (8.40404)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2550 0 -2213.2772 -2213.2772 -3385.068 3385.068
2560 1.4433772e-10 -2213.2772 -2213.2772 -3385.0681 3385.0681
2570 1.5824992e-09 -2213.2772 -2213.2772 -3385.0691 3385.0691
2580 7.7250898e-09 -2213.2772 -2213.2772 -3385.0734 3385.0734
2590 4.1469632e-08 -2213.2772 -2213.2772 -3385.0971 3385.0971
2600 1.6223048e-07 -2213.2773 -2213.2773 -3385.1834 3385.1834
2610 7.5152481e-07 -2213.2776 -2213.2776 -3385.6135 3385.6135
2620 2.4252756e-06 -2213.2787 -2213.2787 -3387.0034 3387.0034
2630 4.5309501e-06 -2213.2809 -2213.2809 -3391.1395 3391.1395
2640 7.5839004e-06 -2213.2849 -2213.2849 -3388.1998 3388.1998
2650 6.4475077e-05 -2213.3141 -2213.3141 -3387.0834 3387.0834
2660 1.0537409e-06 -2213.3363 -2213.3363 -3382.6153 3382.6153
2670 4.4846549e-07 -2213.3371 -2213.3371 -3383.1518 3383.1518
2680 2.1772729e-08 -2213.3372 -2213.3372 -3383.1579 3383.1579
2690 1.3546435e-07 -2213.3372 -2213.3372 -3383.1787 3383.1787
2700 1.9679481e-07 -2213.3374 -2213.3374 -3383.3549 3383.3549
2708 1.4976808e-10 -2213.3374 -2213.3374 -3383.454 3383.454
Loop time of 0.157561 on 1 procs for 158 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.27716637 -2213.33736671 -2213.33736676
Force two-norm initial, final = 0.408795 0.00707064
Force max component initial, final = 0.0489632 0.000765822
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 158 158
Pair time (%) = 0.141021 (89.5023)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00129128 (0.819539)
Outpt time (%) = 0.00102425 (0.650063)
Other time (%) = 0.0142248 (9.0281)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2708 0 -2213.3374 -2213.3374 -3383.454 3383.454
2709 3.5014166e-16 -2213.3374 -2213.3374 -3383.454 3383.454
Loop time of 0.00212193 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33736676 -2213.33736676 -2213.33736676
Force two-norm initial, final = 0.00707064 0.00707064
Force max component initial, final = 0.000765822 0.000765822
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00191307 (90.1573)
Neigh time (%) = 0 (0)
Comm time (%) = 1.71661e-05 (0.808989)
Outpt time (%) = 0 (0)
Other time (%) = 0.000191689 (9.03371)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2600 0 -2213.2775 -2213.2775 -3385.1926 3385.1926
2610 1.6792914e-10 -2213.2775 -2213.2775 -3385.1927 3385.1927
2620 1.8411479e-09 -2213.2775 -2213.2775 -3385.1937 3385.1937
2630 8.9876197e-09 -2213.2775 -2213.2775 -3385.1979 3385.1979
2640 4.8244409e-08 -2213.2775 -2213.2775 -3385.2209 3385.2209
2650 1.8869997e-07 -2213.2776 -2213.2776 -3385.3045 3385.3045
2660 8.7327538e-07 -2213.278 -2213.278 -3385.7209 3385.7209
2670 2.8109129e-06 -2213.2792 -2213.2792 -3387.0628 3387.0628
2680 5.037116e-06 -2213.2817 -2213.2817 -3390.9761 3390.9761
2690 8.5003032e-06 -2213.2857 -2213.2857 -3388.0845 3388.0845
2700 6.3164655e-05 -2213.3147 -2213.3147 -3387.2452 3387.2452
2710 2.5472705e-06 -2213.3332 -2213.3332 -3383.5301 3383.5301
2720 5.518508e-07 -2213.3335 -2213.3335 -3383.3148 3383.3148
2730 1.8889452e-06 -2213.3345 -2213.3345 -3383.4696 3383.4696
2740 4.8336167e-06 -2213.3368 -2213.3368 -3382.6637 3382.6637
2750 3.5046559e-08 -2213.337 -2213.337 -3383.5297 3383.5297
2760 2.5402728e-07 -2213.3372 -2213.3372 -3383.5411 3383.5411
2770 1.9356027e-08 -2213.3373 -2213.3373 -3383.4273 3383.4273
2772 5.6360951e-08 -2213.3373 -2213.3373 -3383.3799 3383.3799
Loop time of 0.171 on 1 procs for 172 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.27747007 -2213.33733818 -2213.33734443
Force two-norm initial, final = 0.44094 0.00879139
Force max component initial, final = 0.0471691 0.000789307
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 172 172
Pair time (%) = 0.155042 (90.6677)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00139594 (0.81634)
Outpt time (%) = 0.00114059 (0.667014)
Other time (%) = 0.0134218 (7.84899)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2772 0 -2213.3373 -2213.3373 -3383.3799 3383.3799
2773 5.6336619e-16 -2213.3373 -2213.3373 -3383.3799 3383.3799
Loop time of 0.00214386 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33734443 -2213.33734443 -2213.33734443
Force two-norm initial, final = 0.00896876 0.00896876
Force max component initial, final = 0.000772908 0.000772908
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00191212 (89.1904)
Neigh time (%) = 0 (0)
Comm time (%) = 1.69277e-05 (0.789591)
Outpt time (%) = 0 (0)
Other time (%) = 0.000214815 (10.02)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2550 0 -2213.2849 -2213.2849 -3387.6883 3387.6883
2560 1.4951276e-10 -2213.2849 -2213.2849 -3387.6884 3387.6884
2570 1.6392973e-09 -2213.2849 -2213.2849 -3387.6885 3387.6885
2580 8.0037486e-09 -2213.2849 -2213.2849 -3387.6892 3387.6892
2590 4.300489e-08 -2213.285 -2213.285 -3387.6928 3387.6928
2600 1.6884296e-07 -2213.285 -2213.285 -3387.706 3387.706
2610 7.9618729e-07 -2213.2854 -2213.2854 -3387.7709 3387.7709
2620 2.772093e-06 -2213.2866 -2213.2866 -3387.9697 3387.9697
2630 8.93738e-06 -2213.2906 -2213.2906 -3388.4489 3388.4489
2640 1.5722214e-05 -2213.2974 -2213.2974 -3388.0065 3388.0065
2650 4.5539328e-05 -2213.3162 -2213.3162 -3385.0373 3385.0373
2660 1.3220017e-06 -2213.334 -2213.334 -3381.981 3381.981
2670 8.6674857e-07 -2213.3357 -2213.3357 -3383.4424 3383.4424
2680 2.4559536e-06 -2213.3369 -2213.3369 -3383.242 3383.242
2690 2.04435e-07 -2213.3373 -2213.3373 -3383.2971 3383.2971
2700 5.2193837e-08 -2213.3373 -2213.3373 -3383.4045 3383.4045
2710 2.2248992e-07 -2213.3374 -2213.3374 -3383.4457 3383.4457
2720 6.3894294e-09 -2213.3373 -2213.3373 -3383.4077 3383.4077
2730 3.4009444e-08 -2213.3374 -2213.3374 -3383.4107 3383.4107
2731 3.7599725e-08 -2213.3374 -2213.3374 -3383.3965 3383.3965
Loop time of 0.175805 on 1 procs for 181 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.28494186 -2213.33735959 -2213.33736345
Force two-norm initial, final = 0.416059 0.00652415
Force max component initial, final = 0.0620187 0.000597394
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 181 181
Pair time (%) = 0.159012 (90.4481)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0014863 (0.845426)
Outpt time (%) = 0.00118923 (0.676449)
Other time (%) = 0.0141172 (8.03005)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2731 0 -2213.3374 -2213.3374 -3383.3965 3383.3965
2732 2.9810829e-16 -2213.3374 -2213.3374 -3383.3965 3383.3965
Loop time of 0.00207496 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33736345 -2213.33736345 -2213.33736345
Force two-norm initial, final = 0.00652415 0.00652415
Force max component initial, final = 0.000597394 0.000597394
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185108 (89.2106)
Neigh time (%) = 0 (0)
Comm time (%) = 1.62125e-05 (0.78134)
Outpt time (%) = 0 (0)
Other time (%) = 0.000207663 (10.008)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2600 0 -2213.2798 -2213.2798 -3385.8669 3385.8669
2610 1.7040237e-10 -2213.2798 -2213.2798 -3385.8669 3385.8669
2620 1.8683415e-09 -2213.2798 -2213.2798 -3385.8672 3385.8672
2630 9.1221664e-09 -2213.2798 -2213.2798 -3385.8686 3385.8686
2640 4.9017682e-08 -2213.2798 -2213.2798 -3385.8763 3385.8763
2650 1.9250486e-07 -2213.2799 -2213.2799 -3385.9044 3385.9044
2660 9.089345e-07 -2213.2804 -2213.2804 -3386.0444 3386.0444
2670 3.1799099e-06 -2213.2818 -2213.2818 -3386.5001 3386.5001
2680 1.0357916e-05 -2213.2863 -2213.2863 -3388.0562 3388.0562
2690 1.7328513e-05 -2213.2934 -2213.2934 -3388.5742 3388.5742
2700 5.5264506e-05 -2213.3181 -2213.3181 -3385.1349 3385.1349
2710 1.6937375e-06 -2213.3344 -2213.3344 -3383.9138 3383.9138
2720 6.8279703e-07 -2213.3355 -2213.3355 -3384.0353 3384.0353
2730 5.9228651e-08 -2213.3357 -2213.3357 -3383.7267 3383.7267
2740 5.1072837e-07 -2213.3361 -2213.3361 -3383.8144 3383.8144
2750 9.937537e-07 -2213.3367 -2213.3367 -3383.4911 3383.4911
2760 1.0067297e-07 -2213.337 -2213.337 -3383.4691 3383.4691
2770 4.5545296e-08 -2213.337 -2213.337 -3383.4432 3383.4432
2780 2.0828339e-07 -2213.3372 -2213.3372 -3383.4462 3383.4462
2790 3.0829778e-08 -2213.3372 -2213.3372 -3383.4287 3383.4287
2792 5.065885e-08 -2213.3372 -2213.3372 -3383.406 3383.406
Loop time of 0.187819 on 1 procs for 192 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.27981598 -2213.3372268 -2213.33723483
Force two-norm initial, final = 0.444174 0.0098442
Force max component initial, final = 0.0705226 0.000946473
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 192 192
Pair time (%) = 0.169705 (90.3557)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00155497 (0.827907)
Outpt time (%) = 0.00127292 (0.677736)
Other time (%) = 0.015286 (8.13867)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2792 0 -2213.3372 -2213.3372 -3383.406 3383.406
2800 1.1043502e-13 -2213.3372 -2213.3372 -3383.406 3383.406
2810 1.3938516e-12 -2213.3372 -2213.3372 -3383.406 3383.406
2820 7.7437761e-12 -2213.3372 -2213.3372 -3383.406 3383.406
2830 4.0020387e-11 -2213.3372 -2213.3372 -3383.406 3383.406
2840 1.6945892e-10 -2213.3372 -2213.3372 -3383.406 3383.406
2850 7.7327185e-10 -2213.3372 -2213.3372 -3383.4061 3383.4061
2860 3.100555e-09 -2213.3372 -2213.3372 -3383.4064 3383.4064
2870 1.3674382e-08 -2213.3372 -2213.3372 -3383.4073 3383.4073
2880 5.4477304e-08 -2213.3372 -2213.3372 -3383.4076 3383.4076
2890 2.6185963e-07 -2213.3372 -2213.3372 -3383.4164 3383.4164
2900 3.8580505e-09 -2213.3367 -2213.3367 -3383.5172 3383.5172
2910 4.5241789e-07 -2213.3369 -2213.3369 -3383.4711 3383.4711
2920 1.3176356e-06 -2213.3373 -2213.3373 -3383.3219 3383.3219
2930 6.1022808e-07 -2213.3373 -2213.3373 -3383.3267 3383.3267
2940 9.7594381e-08 -2213.3374 -2213.3374 -3383.425 3383.425
2941 1.0605999e-07 -2213.3374 -2213.3374 -3383.4267 3383.4267
Loop time of 0.144749 on 1 procs for 149 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33723483 -2213.33735083 -2213.3373536
Force two-norm initial, final = 0.0151109 0.00846635
Force max component initial, final = 0.00123145 0.000949348
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 149 149
Pair time (%) = 0.13068 (90.2807)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00119114 (0.8229)
Outpt time (%) = 0.000975609 (0.674001)
Other time (%) = 0.0119019 (8.22241)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2650 0 -2213.2637 -2213.2637 -3388.6009 3388.6009
2660 2.2628462e-10 -2213.2637 -2213.2637 -3388.6009 3388.6009
2670 2.4810846e-09 -2213.2637 -2213.2637 -3388.6009 3388.6009
2680 1.211469e-08 -2213.2637 -2213.2637 -3388.601 3388.601
2690 6.5120336e-08 -2213.2637 -2213.2637 -3388.6015 3388.6015
2700 2.5609694e-07 -2213.2638 -2213.2638 -3388.6033 3388.6033
2710 1.2171096e-06 -2213.2644 -2213.2644 -3388.6116 3388.6116
2720 4.3697542e-06 -2213.2663 -2213.2663 -3388.6341 3388.6341
2730 1.6210742e-05 -2213.2735 -2213.2735 -3388.689 3388.689
2740 3.4017884e-05 -2213.287 -2213.287 -3389.5087 3389.5087
2750 7.8391836e-05 -2213.3206 -2213.3206 -3384.4643 3384.4643
2760 1.3499288e-06 -2213.3362 -2213.3362 -3382.9629 3382.9629
2770 4.9767944e-07 -2213.3369 -2213.3369 -3383.2467 3383.2467
2780 3.7622932e-08 -2213.337 -2213.337 -3383.12 3383.12
2790 2.7826688e-07 -2213.3371 -2213.3371 -3383.2007 3383.2007
2800 5.8289212e-07 -2213.3373 -2213.3373 -3383.3395 3383.3395
2810 6.9401382e-08 -2213.3373 -2213.3373 -3383.5507 3383.5507
2820 1.8663931e-08 -2213.3373 -2213.3373 -3383.4758 3383.4758
2825 3.6973251e-08 -2213.3374 -2213.3374 -3383.4798 3383.4798
Loop time of 0.169771 on 1 procs for 175 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.26367815 -2213.33735397 -2213.33735742
Force two-norm initial, final = 0.51185 0.00835275
Force max component initial, final = 0.072409 0.000705745
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 175 175
Pair time (%) = 0.154093 (90.7652)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00143576 (0.845702)
Outpt time (%) = 0.00112128 (0.660468)
Other time (%) = 0.0131209 (7.72858)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2825 0 -2213.3374 -2213.3374 -3383.4798 3383.4798
2826 4.6294207e-16 -2213.3374 -2213.3374 -3383.4798 3383.4798
Loop time of 0.00209785 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33735742 -2213.33735742 -2213.33735742
Force two-norm initial, final = 0.00813018 0.00813018
Force max component initial, final = 0.000708846 0.000708846
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184608 (87.9986)
Neigh time (%) = 0 (0)
Comm time (%) = 1.4782e-05 (0.704626)
Outpt time (%) = 0 (0)
Other time (%) = 0.000236988 (11.2967)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2600 0 -2213.3177 -2213.3177 -3386.0013 3386.0013
2610 1.2193613e-10 -2213.3177 -2213.3177 -3386.0013 3386.0013
2620 1.3369349e-09 -2213.3177 -2213.3177 -3386.0013 3386.0013
2630 6.5273801e-09 -2213.3177 -2213.3177 -3386.0016 3386.0016
2640 3.5069062e-08 -2213.3177 -2213.3177 -3386.003 3386.003
2650 1.3764049e-07 -2213.3178 -2213.3178 -3386.008 3386.008
2660 6.4793485e-07 -2213.3181 -2213.3181 -3386.0313 3386.0313
2670 2.2414074e-06 -2213.3191 -2213.3191 -3386.0873 3386.0873
2680 6.8871589e-06 -2213.3221 -2213.3221 -3385.9226 3385.9226
2690 9.9179521e-06 -2213.3259 -2213.3259 -3384.3535 3384.3535
2700 1.7491572e-05 -2213.3341 -2213.3341 -3383.6198 3383.6198
2710 9.8648681e-07 -2213.3359 -2213.3359 -3382.7854 3382.7854
2720 6.4326695e-07 -2213.3368 -2213.3368 -3383.269 3383.269
2730 7.8251934e-08 -2213.3369 -2213.3369 -3383.1856 3383.1856
2740 4.7215318e-07 -2213.3372 -2213.3372 -3383.2604 3383.2604
2750 3.3896182e-09 -2213.3374 -2213.3374 -3383.4058 3383.4058
2754 1.9998949e-08 -2213.3374 -2213.3374 -3383.3801 3383.3801
Loop time of 0.151467 on 1 procs for 154 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.31771996 -2213.33737058 -2213.33737207
Force two-norm initial, final = 0.375735 0.00677355
Force max component initial, final = 0.0342566 0.00057647
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 154 154
Pair time (%) = 0.137317 (90.6579)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00122452 (0.808438)
Outpt time (%) = 0.00099802 (0.658902)
Other time (%) = 0.0119276 (7.87472)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2754 0 -2213.3374 -2213.3374 -3383.3801 3383.3801
2755 3.2133597e-16 -2213.3374 -2213.3374 -3383.3801 3383.3801
Loop time of 0.0020659 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737207 -2213.33737207 -2213.33737207
Force two-norm initial, final = 0.00677355 0.00677355
Force max component initial, final = 0.00057647 0.00057647
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184917 (89.5095)
Neigh time (%) = 0 (0)
Comm time (%) = 1.43051e-05 (0.692441)
Outpt time (%) = 0 (0)
Other time (%) = 0.000202417 (9.79804)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2650 0 -2213.3077 -2213.3077 -3387.5492 3387.5492
2660 9.7970382e-11 -2213.3077 -2213.3077 -3387.5492 3387.5492
2670 1.0741762e-09 -2213.3077 -2213.3077 -3387.5491 3387.5491
2680 5.2446601e-09 -2213.3077 -2213.3077 -3387.5487 3387.5487
2690 2.8182133e-08 -2213.3077 -2213.3077 -3387.5465 3387.5465
2700 1.1067901e-07 -2213.3078 -2213.3078 -3387.5383 3387.5383
2710 5.2267627e-07 -2213.308 -2213.308 -3387.4966 3387.4966
2720 1.8315951e-06 -2213.3089 -2213.3089 -3387.3483 3387.3483
2730 6.2258967e-06 -2213.3116 -2213.3116 -3386.6721 3386.6721
2740 1.3666932e-05 -2213.3174 -2213.3174 -3386.0008 3386.0008
2750 2.7391783e-05 -2213.3291 -2213.3291 -3384.2184 3384.2184
2760 1.0191528e-06 -2213.3366 -2213.3366 -3383.5615 3383.5615
2770 2.9038459e-07 -2213.3369 -2213.3369 -3383.1712 3383.1712
2780 6.4715646e-07 -2213.3372 -2213.3372 -3383.0892 3383.0892
2790 7.1463202e-08 -2213.3373 -2213.3373 -3383.3775 3383.3775
2800 1.0062342e-08 -2213.3373 -2213.3373 -3383.3502 3383.3502
2810 4.8438813e-08 -2213.3374 -2213.3374 -3383.3483 3383.3483
2813 6.1723504e-08 -2213.3374 -2213.3374 -3383.388 3383.388
Loop time of 0.158759 on 1 procs for 163 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.30772695 -2213.33736116 -2213.33736518
Force two-norm initial, final = 0.336793 0.0063977
Force max component initial, final = 0.0474694 0.000537403
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 163 163
Pair time (%) = 0.143671 (90.4961)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00132155 (0.832427)
Outpt time (%) = 0.00106049 (0.667984)
Other time (%) = 0.0127063 (8.0035)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2813 0 -2213.3374 -2213.3374 -3383.388 3383.388
2814 2.866643e-16 -2213.3374 -2213.3374 -3383.388 3383.388
Loop time of 0.00206304 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33736518 -2213.33736518 -2213.33736518
Force two-norm initial, final = 0.0063977 0.0063977
Force max component initial, final = 0.000537403 0.000537403
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184989 (89.6683)
Neigh time (%) = 0 (0)
Comm time (%) = 1.66893e-05 (0.808968)
Outpt time (%) = 0 (0)
Other time (%) = 0.000196457 (9.52271)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2700 0 -2213.3206 -2213.3206 -3386.146 3386.146
2710 8.5187884e-11 -2213.3206 -2213.3206 -3386.146 3386.146
2720 9.3403083e-10 -2213.3206 -2213.3206 -3386.1459 3386.1459
2730 4.5605376e-09 -2213.3206 -2213.3206 -3386.1455 3386.1455
2740 2.4509796e-08 -2213.3206 -2213.3206 -3386.1433 3386.1433
2750 9.6315912e-08 -2213.3206 -2213.3206 -3386.1353 3386.1353
2760 4.5614987e-07 -2213.3209 -2213.3209 -3386.0945 3386.0945
2770 1.6154356e-06 -2213.3216 -2213.3216 -3385.9493 3385.9493
2780 5.6724855e-06 -2213.3241 -2213.3241 -3385.2586 3385.2586
2790 1.1744169e-05 -2213.3287 -2213.3287 -3384.2599 3384.2599
2800 1.5076696e-05 -2213.3348 -2213.3348 -3383.8033 3383.8033
2810 3.4394239e-07 -2213.3365 -2213.3365 -3383.5174 3383.5174
2820 2.0034904e-07 -2213.337 -2213.337 -3383.1949 3383.1949
2830 5.1574054e-07 -2213.3372 -2213.3372 -3383.1722 3383.1722
2840 2.1860245e-08 -2213.3373 -2213.3373 -3383.4508 3383.4508
2850 3.7060001e-08 -2213.3374 -2213.3374 -3383.5704 3383.5704
2858 1.6285837e-08 -2213.3374 -2213.3374 -3383.3646 3383.3646
Loop time of 0.154405 on 1 procs for 158 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3205877 -2213.33737003 -2213.3373723
Force two-norm initial, final = 0.314054 0.00758249
Force max component initial, final = 0.0413709 0.000865145
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 158 158
Pair time (%) = 0.139652 (90.4455)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0012815 (0.829959)
Outpt time (%) = 0.000990152 (0.641269)
Other time (%) = 0.012481 (8.08326)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2858 0 -2213.3374 -2213.3374 -3383.3646 3383.3646
2859 4.0267105e-16 -2213.3374 -2213.3374 -3383.3646 3383.3646
Loop time of 0.002074 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3373723 -2213.3373723 -2213.3373723
Force two-norm initial, final = 0.00758249 0.00758249
Force max component initial, final = 0.000865145 0.000865145
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00184989 (89.1942)
Neigh time (%) = 0 (0)
Comm time (%) = 1.78814e-05 (0.862168)
Outpt time (%) = 0 (0)
Other time (%) = 0.000206232 (9.94367)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2650 0 -2213.308 -2213.308 -3385.8676 3385.8676
2660 8.7731412e-11 -2213.308 -2213.308 -3385.8676 3385.8676
2670 9.6190672e-10 -2213.308 -2213.308 -3385.8677 3385.8677
2680 4.6963712e-09 -2213.308 -2213.308 -3385.8682 3385.8682
2690 2.523182e-08 -2213.308 -2213.308 -3385.8708 3385.8708
2700 9.9035304e-08 -2213.3081 -2213.3081 -3385.88 3385.88
2710 4.6620686e-07 -2213.3083 -2213.3083 -3385.9252 3385.9252
2720 1.612538e-06 -2213.309 -2213.309 -3386.0598 3386.0598
2730 4.8216273e-06 -2213.3111 -2213.3111 -3386.2847 3386.2847
2740 5.4214002e-06 -2213.3137 -2213.3137 -3385.283 3385.283
2750 2.5006021e-05 -2213.3244 -2213.3244 -3384.6971 3384.6971
2760 8.4030293e-07 -2213.3351 -2213.3351 -3383.063 3383.063
2770 4.0815132e-07 -2213.3357 -2213.3357 -3383.3337 3383.3337
2780 1.4847117e-06 -2213.3365 -2213.3365 -3383.3545 3383.3545
2790 9.9962027e-08 -2213.3371 -2213.3371 -3383.2357 3383.2357
2800 3.2746987e-08 -2213.3371 -2213.3371 -3383.2494 3383.2494
2810 2.2959803e-07 -2213.3372 -2213.3372 -3383.321 3383.321
2820 5.8864623e-09 -2213.3373 -2213.3373 -3383.4262 3383.4262
2823 2.3695006e-08 -2213.3373 -2213.3373 -3383.4148 3383.4148
Loop time of 0.167671 on 1 procs for 173 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.30802742 -2213.33734726 -2213.33734868
Force two-norm initial, final = 0.318708 0.00925545
Force max component initial, final = 0.0331928 0.000838572
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 173 173
Pair time (%) = 0.152005 (90.6567)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00140166 (0.835959)
Outpt time (%) = 0.001122 (0.669165)
Other time (%) = 0.0131423 (7.83817)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2823 0 -2213.3373 -2213.3373 -3383.4148 3383.4148
2824 6.2388916e-16 -2213.3373 -2213.3373 -3383.4148 3383.4148
Loop time of 0.00207305 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33734868 -2213.33734868 -2213.33734868
Force two-norm initial, final = 0.00943823 0.00943823
Force max component initial, final = 0.000810831 0.000810831
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185084 (89.2812)
Neigh time (%) = 0 (0)
Comm time (%) = 1.66893e-05 (0.80506)
Outpt time (%) = 0 (0)
Other time (%) = 0.000205517 (9.91374)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2700 0 -2213.3147 -2213.3147 -3386.8996 3386.8996
2710 2.8059679e-10 -2213.3147 -2213.3147 -3386.8996 3386.8996
2720 3.076445e-09 -2213.3147 -2213.3147 -3386.8993 3386.8993
2730 1.5018514e-08 -2213.3147 -2213.3147 -3386.8981 3386.8981
2740 8.0636492e-08 -2213.3147 -2213.3147 -3386.8915 3386.8915
2750 3.1573816e-07 -2213.3149 -2213.3149 -3386.8674 3386.8674
2760 1.4683291e-06 -2213.3156 -2213.3156 -3386.743 3386.743
2770 4.8584627e-06 -2213.3176 -2213.3176 -3386.2891 3386.2891
2780 1.1021939e-05 -2213.322 -2213.322 -3384.2622 3384.2622
2790 9.5782876e-06 -2213.3255 -2213.3255 -3385.2613 3385.2613
2800 1.245522e-05 -2213.3311 -2213.3311 -3383.3577 3383.3577
2810 4.6119907e-08 -2213.3335 -2213.3335 -3383.0537 3383.0537
2820 1.4594446e-06 -2213.3341 -2213.3341 -3383.9171 3383.9171
2830 3.7541959e-06 -2213.3358 -2213.3358 -3383.3562 3383.3562
2840 3.6405752e-07 -2213.3371 -2213.3371 -3383.344 3383.344
2850 7.7945588e-08 -2213.3371 -2213.3371 -3383.3462 3383.3462
2860 2.4505397e-07 -2213.3372 -2213.3372 -3383.585 3383.585
2870 4.7891526e-08 -2213.3373 -2213.3373 -3383.4797 3383.4797
2880 6.4709515e-08 -2213.3373 -2213.3373 -3383.4448 3383.4448
2890 7.7431545e-09 -2213.3374 -2213.3374 -3383.4062 3383.4062
2895 2.0392798e-08 -2213.3374 -2213.3374 -3383.3947 3383.3947
Loop time of 0.189468 on 1 procs for 195 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3146678 -2213.33735834 -2213.33736059
Force two-norm initial, final = 0.569977 0.00604391
Force max component initial, final = 0.0583255 0.000429058
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 195 195
Pair time (%) = 0.171707 (90.626)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00158072 (0.834292)
Outpt time (%) = 0.00124383 (0.656486)
Other time (%) = 0.0149362 (7.88324)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2895 0 -2213.3374 -2213.3374 -3383.3947 3383.3947
2896 2.5583651e-16 -2213.3374 -2213.3374 -3383.3947 3383.3947
Loop time of 0.00206208 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33736059 -2213.33736059 -2213.33736059
Force two-norm initial, final = 0.00604391 0.00604391
Force max component initial, final = 0.000429058 0.000429058
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185013 (89.7214)
Neigh time (%) = 0 (0)
Comm time (%) = 1.71661e-05 (0.832466)
Outpt time (%) = 0 (0)
Other time (%) = 0.000194788 (9.44618)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2750 0 -2213.3215 -2213.3215 -3386.912 3386.912
2760 1.0109347e-10 -2213.3215 -2213.3215 -3386.912 3386.912
2770 1.108417e-09 -2213.3215 -2213.3215 -3386.9119 3386.9119
2780 5.4118042e-09 -2213.3215 -2213.3215 -3386.9116 3386.9116
2790 2.9079193e-08 -2213.3215 -2213.3215 -3386.9096 3386.9096
2800 1.1418605e-07 -2213.3216 -2213.3216 -3386.9022 3386.9022
2810 5.3882034e-07 -2213.3218 -2213.3218 -3386.8642 3386.8642
2820 1.8812452e-06 -2213.3226 -2213.3226 -3386.7256 3386.7256
2830 6.1178301e-06 -2213.3253 -2213.3253 -3386.0183 3386.0183
2840 9.4992383e-06 -2213.329 -2213.329 -3385.1137 3385.1137
2850 1.4129703e-05 -2213.3348 -2213.3348 -3383.6222 3383.6222
2860 1.1083682e-06 -2213.3365 -2213.3365 -3382.7527 3382.7527
2870 2.0742404e-07 -2213.3369 -2213.3369 -3383.3636 3383.3636
2880 4.3886921e-07 -2213.3371 -2213.3371 -3383.1231 3383.1231
2890 2.0845827e-07 -2213.3373 -2213.3373 -3383.4917 3383.4917
2900 2.5874354e-08 -2213.3373 -2213.3373 -3383.4071 3383.4071
2910 9.0899436e-08 -2213.3374 -2213.3374 -3383.415 3383.415
2916 1.5268442e-08 -2213.3374 -2213.3374 -3383.4194 3383.4194
Loop time of 0.165023 on 1 procs for 166 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3214945 -2213.33736614 -2213.33736693
Force two-norm initial, final = 0.342119 0.00633855
Force max component initial, final = 0.0320861 0.000516644
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 166 166
Pair time (%) = 0.14916 (90.3876)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00135708 (0.822357)
Outpt time (%) = 0.00112104 (0.679326)
Other time (%) = 0.0133846 (8.11073)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2916 0 -2213.3374 -2213.3374 -3383.4194 3383.4194
2917 2.8138792e-16 -2213.3374 -2213.3374 -3383.4194 3383.4194
Loop time of 0.00213313 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33736693 -2213.33736693 -2213.33736693
Force two-norm initial, final = 0.00633855 0.00633855
Force max component initial, final = 0.000516644 0.000516644
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00191498 (89.7731)
Neigh time (%) = 0 (0)
Comm time (%) = 1.66893e-05 (0.782385)
Outpt time (%) = 0 (0)
Other time (%) = 0.000201464 (9.44451)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2700 0 -2213.3063 -2213.3063 -3380.2884 3380.2884
2710 1.012952e-10 -2213.3063 -2213.3063 -3380.2885 3380.2885
2720 1.1105953e-09 -2213.3063 -2213.3063 -3380.2896 3380.2896
2730 5.4216774e-09 -2213.3063 -2213.3063 -3380.2944 3380.2944
2740 2.9110376e-08 -2213.3063 -2213.3063 -3380.3207 3380.3207
2750 1.1398071e-07 -2213.3064 -2213.3064 -3380.4164 3380.4164
2760 5.3025104e-07 -2213.3066 -2213.3066 -3380.894 3380.894
2770 1.7522662e-06 -2213.3074 -2213.3074 -3382.446 3382.446
2780 4.1412072e-06 -2213.3092 -2213.3092 -3387.333 3387.333
2790 6.5248254e-06 -2213.3121 -2213.3121 -3385.0549 3385.0549
2800 2.5792483e-05 -2213.3241 -2213.3241 -3385.0394 3385.0394
2810 1.2550368e-06 -2213.3354 -2213.3354 -3384.2462 3384.2462
2820 3.3748266e-07 -2213.3364 -2213.3364 -3383.3244 3383.3244
2830 1.0248302e-06 -2213.337 -2213.337 -3383.4189 3383.4189
2840 3.801422e-08 -2213.3371 -2213.3371 -3383.3078 3383.3078
2850 2.0852102e-07 -2213.3373 -2213.3373 -3383.3459 3383.3459
2860 6.1300371e-10 -2213.3373 -2213.3373 -3383.4077 3383.4077
2863 2.4000588e-09 -2213.3373 -2213.3373 -3383.4018 3383.4018
Loop time of 0.161436 on 1 procs for 163 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.30631523 -2213.33729803 -2213.33729846
Force two-norm initial, final = 0.34246 0.0099442
Force max component initial, final = 0.0403646 0.00108433
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 163 163
Pair time (%) = 0.146661 (90.8476)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00131083 (0.811979)
Outpt time (%) = 0.00105834 (0.655579)
Other time (%) = 0.0124061 (7.68486)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2863 0 -2213.3373 -2213.3373 -3383.4018 3383.4018
2870 4.5923534e-14 -2213.3373 -2213.3373 -3383.4018 3383.4018
2880 6.3417445e-13 -2213.3373 -2213.3373 -3383.4018 3383.4018
2890 3.7937707e-12 -2213.3373 -2213.3373 -3383.4018 3383.4018
2900 1.9176545e-11 -2213.3373 -2213.3373 -3383.4017 3383.4017
2910 8.4437026e-11 -2213.3373 -2213.3373 -3383.4016 3383.4016
2920 3.741469e-10 -2213.3373 -2213.3373 -3383.401 3383.401
2930 1.5558653e-09 -2213.3373 -2213.3373 -3383.3988 3383.3988
2940 6.6631864e-09 -2213.3373 -2213.3373 -3383.3916 3383.3916
2950 2.6287071e-08 -2213.3373 -2213.3373 -3383.3883 3383.3883
2960 1.0489135e-07 -2213.3373 -2213.3373 -3383.3991 3383.3991
2970 9.5763603e-10 -2213.3372 -2213.3372 -3383.3696 3383.3696
2980 8.6302248e-08 -2213.3373 -2213.3373 -3383.4854 3383.4854
2990 1.912277e-07 -2213.3373 -2213.3373 -3383.4255 3383.4255
3000 7.7632568e-09 -2213.3374 -2213.3374 -3383.27 3383.27
Loop time of 0.137421 on 1 procs for 137 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33729846 -2213.33735639 -2213.33735739
Force two-norm initial, final = 0.011405 0.00922687
Force max component initial, final = 0.000908399 0.00133541
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 137 137
Pair time (%) = 0.124254 (90.4182)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00117922 (0.858107)
Outpt time (%) = 0.000864029 (0.628746)
Other time (%) = 0.0111241 (8.09494)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2750 0 -2213.3188 -2213.3188 -3381.332 3381.332
2760 1.7525608e-10 -2213.3188 -2213.3188 -3381.3321 3381.3321
2770 1.9215139e-09 -2213.3188 -2213.3188 -3381.3326 3381.3326
2780 9.3807498e-09 -2213.3188 -2213.3188 -3381.335 3381.335
2790 5.0377633e-08 -2213.3188 -2213.3188 -3381.3481 3381.3481
2800 1.9740273e-07 -2213.3189 -2213.3189 -3381.3957 3381.3957
2810 9.2182918e-07 -2213.3194 -2213.3194 -3381.6323 3381.6323
2820 3.0928579e-06 -2213.3207 -2213.3207 -3382.3913 3382.3913
2830 8.1001917e-06 -2213.3242 -2213.3242 -3384.7345 3384.7345
2840 1.1171294e-05 -2213.3284 -2213.3284 -3384.0934 3384.0934
2850 1.4976523e-05 -2213.3345 -2213.3345 -3384.2272 3384.2272
2860 1.751662e-06 -2213.3368 -2213.3368 -3383.5075 3383.5075
2870 2.4126043e-07 -2213.337 -2213.337 -3383.3905 3383.3905
2880 4.9145933e-07 -2213.3372 -2213.3372 -3383.4441 3383.4441
2890 5.153062e-07 -2213.3372 -2213.3372 -3383.066 3383.066
2900 1.0612696e-08 -2213.3374 -2213.3374 -3383.3759 3383.3759
2910 3.85759e-08 -2213.3374 -2213.3374 -3383.4217 3383.4217
2919 1.2462127e-08 -2213.3374 -2213.3374 -3383.3959 3383.3959
Loop time of 0.167042 on 1 procs for 169 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.31881486 -2213.33737769 -2213.33737894
Force two-norm initial, final = 0.450456 0.00558478
Force max component initial, final = 0.0680572 0.000504366
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 169 169
Pair time (%) = 0.150906 (90.3401)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0013566 (0.812132)
Outpt time (%) = 0.00105762 (0.633149)
Other time (%) = 0.0137219 (8.21467)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2919 0 -2213.3374 -2213.3374 -3383.3959 3383.3959
2920 2.1844275e-16 -2213.3374 -2213.3374 -3383.3959 3383.3959
Loop time of 0.00224519 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737894 -2213.33737894 -2213.33737894
Force two-norm initial, final = 0.00558478 0.00558478
Force max component initial, final = 0.000504366 0.000504366
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00201917 (89.9331)
Neigh time (%) = 0 (0)
Comm time (%) = 1.66893e-05 (0.743337)
Outpt time (%) = 0 (0)
Other time (%) = 0.000209332 (9.32356)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2800 0 -2213.3265 -2213.3265 -3383.9419 3383.9419
2810 4.3769897e-11 -2213.3265 -2213.3265 -3383.9419 3383.9419
2820 4.7989778e-10 -2213.3265 -2213.3265 -3383.9421 3383.9421
2830 2.3428938e-09 -2213.3265 -2213.3265 -3383.9425 3383.9425
2840 1.2583954e-08 -2213.3265 -2213.3265 -3383.9451 3383.9451
2850 4.9331164e-08 -2213.3265 -2213.3265 -3383.9544 3383.9544
2860 2.3103034e-07 -2213.3266 -2213.3266 -3384.0008 3384.0008
2870 7.8303419e-07 -2213.3269 -2213.3269 -3384.1497 3384.1497
2880 2.3636495e-06 -2213.328 -2213.328 -3384.6289 3384.6289
2890 5.2587972e-06 -2213.3302 -2213.3302 -3384.6992 3384.6992
2900 1.0709181e-05 -2213.3347 -2213.3347 -3383.5166 3383.5166
2910 2.3803767e-07 -2213.337 -2213.337 -3383.0378 3383.0378
2920 3.9410095e-08 -2213.3372 -2213.3372 -3383.3162 3383.3162
2930 1.3366528e-08 -2213.3372 -2213.3372 -3383.2041 3383.2041
2940 9.2824718e-08 -2213.3373 -2213.3373 -3383.2453 3383.2453
2950 1.7447759e-07 -2213.3374 -2213.3374 -3383.3984 3383.3984
2955 1.2193459e-08 -2213.3374 -2213.3374 -3383.3974 3383.3974
Loop time of 0.151089 on 1 procs for 155 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.32645411 -2213.33738141 -2213.33738297
Force two-norm initial, final = 0.225114 0.00509785
Force max component initial, final = 0.0338543 0.000389173
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 155 155
Pair time (%) = 0.136178 (90.1313)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0012548 (0.830502)
Outpt time (%) = 0.00100422 (0.664654)
Other time (%) = 0.0126514 (8.37351)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2955 0 -2213.3374 -2213.3374 -3383.3974 3383.3974
2956 1.820118e-16 -2213.3374 -2213.3374 -3383.3974 3383.3974
Loop time of 0.0021019 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33738297 -2213.33738297 -2213.33738297
Force two-norm initial, final = 0.00509785 0.00509785
Force max component initial, final = 0.000389173 0.000389173
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00187016 (88.9746)
Neigh time (%) = 0 (0)
Comm time (%) = 1.52588e-05 (0.725953)
Outpt time (%) = 0 (0)
Other time (%) = 0.000216484 (10.2995)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2750 0 -2213.326 -2213.326 -3379.4072 3379.4072
2760 1.0874029e-10 -2213.326 -2213.326 -3379.4073 3379.4073
2770 1.1922393e-09 -2213.326 -2213.326 -3379.4083 3379.4083
2780 5.8206401e-09 -2213.326 -2213.326 -3379.4124 3379.4124
2790 3.1263392e-08 -2213.3261 -2213.3261 -3379.435 3379.435
2800 1.2258275e-07 -2213.3261 -2213.3261 -3379.517 3379.517
2810 5.7404422e-07 -2213.3264 -2213.3264 -3379.9265 3379.9265
2820 1.9486035e-06 -2213.3272 -2213.3272 -3381.2598 3381.2598
2830 5.2029969e-06 -2213.3293 -2213.3293 -3385.5307 3385.5307
2840 3.7925765e-06 -2213.3307 -2213.3307 -3383.0912 3383.0912
2850 5.7679406e-06 -2213.3336 -2213.3336 -3384.8578 3384.8578
2860 1.1590537e-06 -2213.3358 -2213.3358 -3383.5839 3383.5839
2870 3.361921e-07 -2213.336 -2213.336 -3383.1608 3383.1608
2880 9.1139052e-07 -2213.3364 -2213.3364 -3383.5053 3383.5053
2890 1.7262083e-06 -2213.3371 -2213.3371 -3383.4204 3383.4204
2900 2.1239119e-08 -2213.3373 -2213.3373 -3383.3925 3383.3925
2910 9.9527805e-08 -2213.3373 -2213.3373 -3383.3717 3383.3717
2919 1.9038751e-08 -2213.3374 -2213.3374 -3383.3962 3383.3962
Loop time of 0.163813 on 1 procs for 169 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3260462 -2213.3373502 -2213.33735231
Force two-norm initial, final = 0.354822 0.00866808
Force max component initial, final = 0.05243 0.000859367
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 169 169
Pair time (%) = 0.148237 (90.4918)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00137401 (0.838766)
Outpt time (%) = 0.00104737 (0.639371)
Other time (%) = 0.0131543 (8.03006)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2919 0 -2213.3374 -2213.3374 -3383.3962 3383.3962
2920 5.2622516e-16 -2213.3374 -2213.3374 -3383.3962 3383.3962
Loop time of 0.00219703 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33735231 -2213.33735231 -2213.33735231
Force two-norm initial, final = 0.00866808 0.00866808
Force max component initial, final = 0.000859367 0.000859367
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.0019846 (90.331)
Neigh time (%) = 0 (0)
Comm time (%) = 1.4782e-05 (0.672816)
Outpt time (%) = 0 (0)
Other time (%) = 0.000197649 (8.9962)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2800 0 -2213.3309 -2213.3309 -3376.2789 3376.2789
2810 1.0260923e-10 -2213.3309 -2213.3309 -3376.279 3376.279
2820 1.1250051e-09 -2213.3309 -2213.3309 -3376.2803 3376.2803
2830 5.492087e-09 -2213.3309 -2213.3309 -3376.2862 3376.2862
2840 2.9490239e-08 -2213.3309 -2213.3309 -3376.3186 3376.3186
2850 1.1549543e-07 -2213.3309 -2213.3309 -3376.4362 3376.4362
2860 5.3787277e-07 -2213.3312 -2213.3312 -3377.0239 3377.0239
2870 1.7824169e-06 -2213.332 -2213.332 -3378.9461 3378.9461
2880 3.9730856e-06 -2213.3336 -2213.3336 -3385.2485 3385.2485
2890 3.0157094e-06 -2213.3347 -2213.3347 -3383.1888 3383.1888
2900 3.6186903e-06 -2213.3359 -2213.3359 -3383.9255 3383.9255
2910 1.5204034e-06 -2213.337 -2213.337 -3383.6459 3383.6459
2920 1.2845762e-07 -2213.3371 -2213.3371 -3383.0974 3383.0974
2930 3.3702176e-07 -2213.3372 -2213.3372 -3383.2889 3383.2889
2940 3.6836329e-07 -2213.3373 -2213.3373 -3382.0768 3382.0768
2950 4.8212441e-09 -2213.3374 -2213.3374 -3383.4423 3383.4423
2960 1.2804756e-08 -2213.3374 -2213.3374 -3383.5568 3383.5568
2969 4.8589516e-09 -2213.3374 -2213.3374 -3383.3834 3383.3834
Loop time of 0.167518 on 1 procs for 169 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33085724 -2213.33738253 -2213.33738303
Force two-norm initial, final = 0.344674 0.00396779
Force max component initial, final = 0.0408801 0.000350596
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 169 169
Pair time (%) = 0.151441 (90.4027)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00148773 (0.888102)
Outpt time (%) = 0.00105309 (0.628645)
Other time (%) = 0.0135365 (8.08059)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2969 0 -2213.3374 -2213.3374 -3383.3834 3383.3834
2970 1.1026136e-16 -2213.3374 -2213.3374 -3383.3834 3383.3834
Loop time of 0.00227714 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33738303 -2213.33738303 -2213.33738303
Force two-norm initial, final = 0.00396779 0.00396779
Force max component initial, final = 0.000350596 0.000350596
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00204873 (89.9696)
Neigh time (%) = 0 (0)
Comm time (%) = 1.69277e-05 (0.743378)
Outpt time (%) = 0 (0)
Other time (%) = 0.000211477 (9.28699)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2850 0 -2213.3314 -2213.3314 -3377.9572 3377.9572
2860 1.237587e-10 -2213.3314 -2213.3314 -3377.9573 3377.9573
2870 1.3568791e-09 -2213.3314 -2213.3314 -3377.9583 3377.9583
2880 6.6239102e-09 -2213.3314 -2213.3314 -3377.9626 3377.9626
2890 3.5562622e-08 -2213.3314 -2213.3314 -3377.9864 3377.9864
2900 1.3921866e-07 -2213.3315 -2213.3315 -3378.0727 3378.0727
2910 6.4669419e-07 -2213.3318 -2213.3318 -3378.504 3378.504
2920 2.1297316e-06 -2213.3327 -2213.3327 -3379.9122 3379.9122
2930 4.4686867e-06 -2213.3345 -2213.3345 -3384.4417 3384.4417
2940 3.6349793e-06 -2213.3358 -2213.3358 -3382.8969 3382.8969
2950 2.7151763e-06 -2213.3365 -2213.3365 -3384.9505 3384.9505
2960 1.2259107e-06 -2213.337 -2213.337 -3383.5232 3383.5232
2970 2.1278215e-07 -2213.3371 -2213.3371 -3383.7222 3383.7222
2980 3.1376215e-07 -2213.3373 -2213.3373 -3383.4809 3383.4809
2990 4.4583317e-08 -2213.3373 -2213.3373 -3382.6987 3382.6987
3000 1.0474313e-08 -2213.3374 -2213.3374 -3383.5575 3383.5575
3010 3.1117119e-08 -2213.3374 -2213.3374 -3383.4501 3383.4501
3020 6.1240054e-08 -2213.3374 -2213.3374 -3383.5881 3383.5881
3030 1.3849376e-09 -2213.3374 -2213.3374 -3383.3558 3383.3558
3033 2.2951125e-09 -2213.3374 -2213.3374 -3383.3899 3383.3899
Loop time of 0.183207 on 1 procs for 183 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33141383 -2213.33738516 -2213.33738528
Force two-norm initial, final = 0.378533 0.00271411
Force max component initial, final = 0.0398322 0.000242302
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 183 183
Pair time (%) = 0.166637 (90.9557)
Neigh time (%) = 0 (0)
Comm time (%) = 0.001477 (0.806193)
Outpt time (%) = 0.00118446 (0.646516)
Other time (%) = 0.0139084 (7.59162)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
3033 0 -2213.3374 -2213.3374 -3383.3899 3383.3899
3034 5.1591787e-17 -2213.3374 -2213.3374 -3383.3899 3383.3899
Loop time of 0.00223398 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33738528 -2213.33738528 -2213.33738528
Force two-norm initial, final = 0.00271411 0.00271411
Force max component initial, final = 0.000242302 0.000242302
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00192904 (86.3501)
Neigh time (%) = 0 (0)
Comm time (%) = 1.4782e-05 (0.661686)
Outpt time (%) = 0 (0)
Other time (%) = 0.000290155 (12.9883)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2800 0 -2213.3216 -2213.3216 -3391.2566 3391.2566
2810 8.3664862e-11 -2213.3216 -2213.3216 -3391.2565 3391.2565
2820 9.1731011e-10 -2213.3216 -2213.3216 -3391.2556 3391.2556
2830 4.4783966e-09 -2213.3216 -2213.3216 -3391.2519 3391.2519
2840 2.4054078e-08 -2213.3216 -2213.3216 -3391.2317 3391.2317
2850 9.4309413e-08 -2213.3217 -2213.3217 -3391.1581 3391.1581
2860 4.4164189e-07 -2213.3219 -2213.3219 -3390.7875 3390.7875
2870 1.4965201e-06 -2213.3226 -2213.3226 -3389.5382 3389.5382
2880 3.9909842e-06 -2213.3242 -2213.3242 -3384.7705 3384.7705
2890 3.5991798e-06 -2213.3258 -2213.3258 -3384.5109 3384.5109
2900 1.072161e-05 -2213.3309 -2213.3309 -3382.0583 3382.0583
2910 1.0742395e-06 -2213.3355 -2213.3355 -3380.0702 3380.0702
2920 7.0932074e-07 -2213.3365 -2213.3365 -3383.6359 3383.6359
2930 7.4342724e-08 -2213.3366 -2213.3366 -3383.3419 3383.3419
2940 5.4517328e-07 -2213.3369 -2213.3369 -3383.3672 3383.3672
2950 6.3663706e-07 -2213.3373 -2213.3373 -3383.3366 3383.3366
2960 3.7174647e-08 -2213.3373 -2213.3373 -3383.3605 3383.3605
2962 5.3857641e-08 -2213.3373 -2213.3373 -3383.372 3383.372
Loop time of 0.160011 on 1 procs for 162 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.32163202 -2213.33734379 -2213.33734972
Force two-norm initial, final = 0.311234 0.00952052
Force max component initial, final = 0.0327328 0.000822605
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 162 162
Pair time (%) = 0.14547 (90.9124)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0013721 (0.857503)
Outpt time (%) = 0.00107694 (0.673039)
Other time (%) = 0.0120921 (7.55705)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2962 0 -2213.3373 -2213.3373 -3383.372 3383.372
2963 6.7962949e-16 -2213.3373 -2213.3373 -3383.372 3383.372
Loop time of 0.00215006 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33734972 -2213.33734972 -2213.33734972
Force two-norm initial, final = 0.00985083 0.00985083
Force max component initial, final = 0.000904224 0.000904224
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00193501 (89.9978)
Neigh time (%) = 0 (0)
Comm time (%) = 1.38283e-05 (0.643158)
Outpt time (%) = 0 (0)
Other time (%) = 0.000201225 (9.35906)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2850 0 -2213.3282 -2213.3282 -3385.0592 3385.0592
2860 5.1761596e-11 -2213.3282 -2213.3282 -3385.0592 3385.0592
2870 5.6752669e-10 -2213.3282 -2213.3282 -3385.0591 3385.0591
2880 2.7708741e-09 -2213.3282 -2213.3282 -3385.059 3385.059
2890 1.4887386e-08 -2213.3282 -2213.3282 -3385.058 3385.058
2900 5.8434305e-08 -2213.3282 -2213.3282 -3385.0543 3385.0543
2910 2.7523623e-07 -2213.3284 -2213.3284 -3385.0356 3385.0356
2920 9.5148188e-07 -2213.3288 -2213.3288 -3384.9692 3384.9692
2930 2.8392443e-06 -2213.33 -2213.33 -3384.6547 3384.6547
2940 2.438559e-06 -2213.3311 -2213.3311 -3384.3239 3384.3239
2950 7.2149226e-06 -2213.3341 -2213.3341 -3383.8264 3383.8264
2960 2.7775271e-07 -2213.3371 -2213.3371 -3383.3991 3383.3991
2970 8.6025899e-08 -2213.3372 -2213.3372 -3383.2274 3383.2274
2980 1.2069978e-07 -2213.3373 -2213.3373 -3383.3294 3383.3294
2990 2.3864114e-08 -2213.3374 -2213.3374 -3383.492 3383.492
2992 4.39104e-08 -2213.3374 -2213.3374 -3383.3663 3383.3663
Loop time of 0.141095 on 1 procs for 142 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.32819256 -2213.33735644 -2213.33735908
Force two-norm initial, final = 0.244804 0.00769169
Force max component initial, final = 0.0243447 0.00100171
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 142 142
Pair time (%) = 0.128144 (90.821)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00121498 (0.861108)
Outpt time (%) = 0.000941515 (0.667291)
Other time (%) = 0.0107946 (7.65061)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2992 0 -2213.3374 -2213.3374 -3383.3663 3383.3663
2993 4.1435228e-16 -2213.3374 -2213.3374 -3383.3663 3383.3663
Loop time of 0.00215292 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33735908 -2213.33735908 -2213.33735908
Force two-norm initial, final = 0.00769169 0.00769169
Force max component initial, final = 0.00100171 0.00100171
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00193381 (89.8228)
Neigh time (%) = 0 (0)
Comm time (%) = 1.57356e-05 (0.730897)
Outpt time (%) = 0 (0)
Other time (%) = 0.000203371 (9.44629)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2900 0 -2213.3197 -2213.3197 -3384.4148 3384.4148
2910 9.1962604e-11 -2213.3197 -2213.3197 -3384.4148 3384.4148
2920 1.0083067e-09 -2213.3197 -2213.3197 -3384.415 3384.415
2930 4.9230692e-09 -2213.3197 -2213.3197 -3384.4155 3384.4155
2940 2.6454919e-08 -2213.3197 -2213.3197 -3384.4182 3384.4182
2950 1.0390032e-07 -2213.3198 -2213.3198 -3384.428 3384.428
2960 4.9087825e-07 -2213.32 -2213.32 -3384.4768 3384.4768
2970 1.7176318e-06 -2213.3208 -2213.3208 -3384.6305 3384.6305
2980 5.5888481e-06 -2213.3232 -2213.3232 -3385.0631 3385.0631
2990 6.6581618e-06 -2213.326 -2213.326 -3384.6532 3384.6532
3000 1.3163853e-05 -2213.3312 -2213.3312 -3383.9723 3383.9723
3010 4.8518496e-07 -2213.3367 -2213.3367 -3383.0554 3383.0554
3020 1.6271891e-07 -2213.337 -2213.337 -3383.4287 3383.4287
3030 3.1445978e-07 -2213.3372 -2213.3372 -3383.303 3383.303
3040 4.9317676e-08 -2213.3373 -2213.3373 -3383.3409 3383.3409
3050 1.4354104e-08 -2213.3373 -2213.3373 -3383.3781 3383.3781
3059 4.2296567e-08 -2213.3373 -2213.3373 -3383.3836 3383.3836
Loop time of 0.154929 on 1 procs for 159 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.31969249 -2213.337339 -2213.33734323
Force two-norm initial, final = 0.326303 0.00695975
Force max component initial, final = 0.0551335 0.00051261
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 159 159
Pair time (%) = 0.141074 (91.0574)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0012846 (0.829154)
Outpt time (%) = 0.000987291 (0.637254)
Other time (%) = 0.0115829 (7.47624)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
3059 0 -2213.3373 -2213.3373 -3383.3836 3383.3836
3060 3.3924476e-16 -2213.3373 -2213.3373 -3383.3836 3383.3836
Loop time of 0.00219584 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33734323 -2213.33734323 -2213.33734323
Force two-norm initial, final = 0.00695975 0.00695975
Force max component initial, final = 0.00051261 0.00051261
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00197887 (90.1194)
Neigh time (%) = 0 (0)
Comm time (%) = 1.90735e-05 (0.868621)
Outpt time (%) = 0 (0)
Other time (%) = 0.000197887 (9.01194)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2850 0 -2212.763 -2212.763 -3609.4401 3609.4401
2860 1.0492307e-09 -2212.763 -2212.763 -3609.4399 3609.4399
2870 1.1503796e-08 -2212.763 -2212.763 -3609.4374 3609.4374
2880 5.6161438e-08 -2212.763 -2212.763 -3609.4269 3609.4269
2890 3.0160525e-07 -2212.7632 -2212.7632 -3609.3691 3609.3691
2900 1.1820478e-06 -2212.7637 -2212.7637 -3609.1577 3609.1577
2910 5.5202012e-06 -2212.7663 -2212.7663 -3608.0724 3608.0724
2920 1.8586085e-05 -2212.7743 -2212.7743 -3604.1308 3604.1308
2930 4.4395434e-05 -2212.7916 -2212.7916 -3584.0283 3584.0283
2940 3.2225388e-05 -2212.8025 -2212.8025 -3562.734 3562.734
2950 3.4003289e-05 -2212.8151 -2212.8151 -3538.9298 3538.9298
2960 1.7112983e-05 -2212.8238 -2212.8238 -3536.9584 3536.9584
2970 1.137284e-06 -2212.8256 -2212.8256 -3534.0292 3534.0292
2980 2.0441535e-06 -2212.8264 -2212.8264 -3536.9608 3536.9608
2990 2.7347902e-07 -2212.8268 -2212.8268 -3540.4809 3540.4809
3000 6.7523294e-08 -2212.8269 -2212.8269 -3540.3781 3540.3781
3010 2.8994981e-07 -2212.827 -2212.827 -3540.4676 3540.4676
3020 3.510261e-08 -2212.8271 -2212.8271 -3540.1321 3540.1321
3030 7.3206587e-09 -2212.8271 -2212.8271 -3540.113 3540.113
3040 3.7709388e-08 -2212.8272 -2212.8272 -3540.033 3540.033
3048 1.2552992e-07 -2212.8272 -2212.8272 -3539.7333 3539.7333
Loop time of 0.195716 on 1 procs for 198 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.76298089 -2212.82720184 -2212.82721253
Force two-norm initial, final = 1.10218 0.00991086
Force max component initial, final = 0.243689 0.000764141
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 198 198
Pair time (%) = 0.179228 (91.5756)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00159526 (0.815089)
Outpt time (%) = 0.00124979 (0.638574)
Other time (%) = 0.0136428 (6.97071)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14246 ave 14246 max 14246 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14246
Ave neighs/atom = 27.8787
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
3048 0 -2212.8272 -2212.8272 -3539.7333 3539.7333
3050 2.8506689e-15 -2212.8272 -2212.8272 -3539.7333 3539.7333
3060 1.4957316e-13 -2212.8272 -2212.8272 -3539.7333 3539.7333
3070 1.4028572e-12 -2212.8272 -2212.8272 -3539.7333 3539.7333
3080 6.4845726e-12 -2212.8272 -2212.8272 -3539.7333 3539.7333
3090 3.4552569e-11 -2212.8272 -2212.8272 -3539.7332 3539.7332
3100 1.3374305e-10 -2212.8272 -2212.8272 -3539.7329 3539.7329
3110 6.4760731e-10 -2212.8272 -2212.8272 -3539.7312 3539.7312
3115 1.2097023e-09 -2212.8272 -2212.8272 -3539.7293 3539.7293
Loop time of 0.0674729 on 1 procs for 67 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2212.82721253 -2212.82721314 -2212.82721322
Force two-norm initial, final = 0.0100874 0.00999068
Force max component initial, final = 0.000875964 0.000863406
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 67 67
Pair time (%) = 0.0617516 (91.5206)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000549316 (0.814129)
Outpt time (%) = 0.000459433 (0.680914)
Other time (%) = 0.00471258 (6.9844)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14250 ave 14250 max 14250 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14250
Ave neighs/atom = 27.8865
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2900 0 -2213.3262 -2213.3262 -3389.4062 3389.4062
2910 5.9991503e-11 -2213.3262 -2213.3262 -3389.4061 3389.4061
2920 6.5775441e-10 -2213.3262 -2213.3262 -3389.4054 3389.4054
2930 3.2112495e-09 -2213.3262 -2213.3262 -3389.4021 3389.4021
2940 1.7248963e-08 -2213.3262 -2213.3262 -3389.3845 3389.3845
2950 6.764087e-08 -2213.3263 -2213.3263 -3389.3202 3389.3202
2960 3.1710654e-07 -2213.3264 -2213.3264 -3388.9968 3388.9968
2970 1.0803082e-06 -2213.3269 -2213.3269 -3387.915 3387.915
2980 3.1663785e-06 -2213.3283 -2213.3283 -3383.9522 3383.9522
2990 5.7913122e-06 -2213.3306 -2213.3306 -3384.0264 3384.0264
3000 1.0918104e-05 -2213.3353 -2213.3353 -3382.2259 3382.2259
3010 5.5366342e-07 -2213.3371 -2213.3371 -3380.4443 3380.4443
3020 8.0612635e-08 -2213.3373 -2213.3373 -3383.4244 3383.4244
3030 1.1962461e-07 -2213.3374 -2213.3374 -3383.5351 3383.5351
3040 1.2661151e-08 -2213.3374 -2213.3374 -3383.3305 3383.3305
3050 2.3666466e-08 -2213.3374 -2213.3374 -3383.4909 3383.4909
3052 3.1581381e-08 -2213.3374 -2213.3374 -3383.4589 3383.4589
Loop time of 0.152909 on 1 procs for 152 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.3262134 -2213.33737531 -2213.33737831
Force two-norm initial, final = 0.263548 0.00525831
Force max component initial, final = 0.043439 0.000504567
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 152 152
Pair time (%) = 0.139029 (90.9227)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00123119 (0.80518)
Outpt time (%) = 0.000988483 (0.646452)
Other time (%) = 0.0116603 (7.62567)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
3052 0 -2213.3374 -2213.3374 -3383.4589 3383.4589
3053 1.9365056e-16 -2213.3374 -2213.3374 -3383.4589 3383.4589
Loop time of 0.0020771 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737831 -2213.33737831 -2213.33737831
Force two-norm initial, final = 0.00525831 0.00525831
Force max component initial, final = 0.000504567 0.000504567
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185108 (89.1185)
Neigh time (%) = 0 (0)
Comm time (%) = 1.45435e-05 (0.700184)
Outpt time (%) = 0 (0)
Other time (%) = 0.000211477 (10.1814)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
2950 0 -2213.3243 -2213.3243 -3390.9473 3390.9473
2960 1.184482e-10 -2213.3243 -2213.3243 -3390.9472 3390.9472
2970 1.2986599e-09 -2213.3243 -2213.3243 -3390.9464 3390.9464
2980 6.3397771e-09 -2213.3243 -2213.3243 -3390.9427 3390.9427
2990 3.4039953e-08 -2213.3243 -2213.3243 -3390.9229 3390.9229
3000 1.3328801e-07 -2213.3243 -2213.3243 -3390.8507 3390.8507
3010 6.2010031e-07 -2213.3246 -2213.3246 -3390.4858 3390.4858
3020 2.0510181e-06 -2213.3255 -2213.3255 -3389.2402 3389.2402
3030 4.7691708e-06 -2213.3275 -2213.3275 -3384.3457 3384.3457
3040 6.5801376e-06 -2213.33 -2213.33 -3383.6828 3383.6828
3050 1.0950952e-05 -2213.3349 -2213.3349 -3381.8089 3381.8089
3060 1.5763877e-06 -2213.3369 -2213.3369 -3383.7634 3383.7634
3070 1.7574687e-07 -2213.337 -2213.337 -3383.4546 3383.4546
3080 3.5316683e-07 -2213.3371 -2213.3371 -3383.4189 3383.4189
3090 4.7320042e-08 -2213.3373 -2213.3373 -3383.3601 3383.3601
3100 1.2395149e-08 -2213.3373 -2213.3373 -3383.4087 3383.4087
3110 4.9636984e-08 -2213.3373 -2213.3373 -3383.3937 3383.3937
3120 1.1899935e-07 -2213.3374 -2213.3374 -3383.3788 3383.3788
3125 3.1641557e-08 -2213.3374 -2213.3374 -3383.4002 3383.4002
Loop time of 0.171276 on 1 procs for 175 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.32425052 -2213.33737124 -2213.33737471
Force two-norm initial, final = 0.370323 0.00545406
Force max component initial, final = 0.0384054 0.000453125
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 175 175
Pair time (%) = 0.154355 (90.1205)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00139642 (0.815302)
Outpt time (%) = 0.00110745 (0.64659)
Other time (%) = 0.0144174 (8.41764)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
3125 0 -2213.3374 -2213.3374 -3383.4002 3383.4002
3126 2.0833675e-16 -2213.3374 -2213.3374 -3383.4002 3383.4002
Loop time of 0.00207901 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737471 -2213.33737471 -2213.33737471
Force two-norm initial, final = 0.00545406 0.00545406
Force max component initial, final = 0.000453125 0.000453125
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00185227 (89.094)
Neigh time (%) = 0 (0)
Comm time (%) = 1.66893e-05 (0.802752)
Outpt time (%) = 0 (0)
Other time (%) = 0.000210047 (10.1032)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
3000 0 -2213.3211 -2213.3211 -3392.4563 3392.4563
3010 1.3626675e-10 -2213.3211 -2213.3211 -3392.4563 3392.4563
3020 1.4940133e-09 -2213.3211 -2213.3211 -3392.4553 3392.4553
3030 7.2932656e-09 -2213.3211 -2213.3211 -3392.4511 3392.4511
3040 3.9154112e-08 -2213.3211 -2213.3211 -3392.4283 3392.4283
3050 1.5323391e-07 -2213.3212 -2213.3212 -3392.3451 3392.3451
3060 7.1101167e-07 -2213.3215 -2213.3215 -3391.9246 3391.9246
3070 2.326522e-06 -2213.3225 -2213.3225 -3390.4871 3390.4871
3080 4.882061e-06 -2213.3245 -2213.3245 -3384.8546 3384.8546
3090 6.7174193e-06 -2213.3272 -2213.3272 -3384.4494 3384.4494
3100 1.4327697e-05 -2213.3338 -2213.3338 -3381.1908 3381.1908
3110 1.9900872e-06 -2213.3368 -2213.3368 -3383.5927 3383.5927
3120 2.0810268e-07 -2213.3368 -2213.3368 -3383.1998 3383.1998
3130 4.2449745e-07 -2213.337 -2213.337 -3383.3207 3383.3207
3140 9.9993671e-07 -2213.3372 -2213.3372 -3383.6979 3383.6979
3150 8.7628341e-09 -2213.3373 -2213.3373 -3383.4559 3383.4559
3160 3.9380468e-08 -2213.3374 -2213.3374 -3383.4155 3383.4155
3170 8.9346972e-09 -2213.3374 -2213.3374 -3383.3487 3383.3487
3172 2.6114415e-08 -2213.3374 -2213.3374 -3383.3759 3383.3759
Loop time of 0.169301 on 1 procs for 172 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.32111072 -2213.33737674 -2213.33737958
Force two-norm initial, final = 0.397202 0.00546314
Force max component initial, final = 0.0607124 0.000459025
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 172 172
Pair time (%) = 0.152452 (90.0482)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00146413 (0.864808)
Outpt time (%) = 0.0011549 (0.682157)
Other time (%) = 0.0142295 (8.40487)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Memory usage per processor = 4.28247 Mbytes
Step Temp PotEng pe Press press
3172 0 -2213.3374 -2213.3374 -3383.3759 3383.3759
3173 2.090311e-16 -2213.3374 -2213.3374 -3383.3759 3383.3759
Loop time of 0.002141 on 1 procs for 1 steps with 511 atoms
Minimization stats:
Stopping criterion = force tolerance
Energy initial, next-to-last, final =
-2213.33737958 -2213.33737958 -2213.33737958
Force two-norm initial, final = 0.00546314 0.00546314
Force max component initial, final = 0.000459025 0.000459025
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 1 1
Pair time (%) = 0.00192499 (89.9109)
Neigh time (%) = 0 (0)
Comm time (%) = 1.52588e-05 (0.712695)
Outpt time (%) = 0 (0)
Other time (%) = 0.000200748 (9.37639)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
Loop time of 39.1789 on 1 procs for 22 steps with 511 atoms
TAD stats:
NEB time (%) = 18.1759 (46.3922)
Dynamics time (%) = 0 (0)
Quench time (%) = 0 (0)
Comm time (%) = 0 (0)
Output time (%) = 0 (0)
Other time (%) = 21.0029 (53.6078)
Nlocal: 511 ave 511 max 511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1017 ave 1017 max 1017 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 14256 ave 14256 max 14256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14256
Ave neighs/atom = 27.8982
Neighbor list builds = 0
Dangerous builds = 0
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